TBA (tert-butyl alcohol)

CAS

Purity

CHARACTER

tertiary butanol, also known as trimethylmethanol, 2-methyl-2-propanol, chemical formula C4H10O, molecular weight 74.12, is a colorless or light yellow transparent liquid, with camphor flavor, soluble in water, ethanol and ether. Tert-butyl alcohol has a wide range of uses, mainly used as organic solvents and chemical raw materials, can be used in the production of drugs, spices, artificial musk, etc., is also a gasoline additive, used to improve the octane number of gasoline. In addition, tert-butyl alcohol is also used as a solvent and diluent for nitrocellulose and synthetic resins, and has important applications in the coating industry. Its unique chemical properties and diverse applications make tert-butyl alcohol one of the important raw materials in the chemical industry.

APPLICATIONS

(1) Tert-butyl alcohol is mainly used as an organic solvent and chemical raw material, widely used in dissolving resins, coatings, paints, inks and dyes, etc., and is also a raw material for the preparation of drugs and spices.

(2) Tert-butyl alcohol is widely used in gasoline additives, which can effectively increase the octane number of gasoline and improve the combustion performance of gasoline.

(3) tert-butyl alcohol has an important application in the field of synthetic resin, and can be used as a raw material for the synthesis of polytetrafluoroethylene, polyvinyl alcohol and other resins.

(4) As a benzene alkylating agent, tert-butyl phenol can be prepared, which is an important antioxidant and stabilizer for plastics.

(5) As an intermediate in organic synthesis and an alkylation raw material for the production of tert-butyl compounds, tert-butyl alcohol can be used to produce methyl methacrylate, tert-butyl phenol, tert-butyl amine and other compounds, and further used in the synthesis of drugs and other fine chemicals.

(6) In cosmetics and skin care products, tert-butyl alcohol is mainly used as a denaturant and plays a role in skin conditioning.

(7) tert-butyl alcohol is also used in the manufacture of dyes, plastic additives, softeners and pesticides, and is an important raw material in many industrial fields.

(8) Tert-butanol is also a commonly used organic solvent in the laboratory, used for extraction and separation of organic compounds, as well as solution preparation, dilution and adjustment.

ABILITIES

1. Packing: barreled, scattered water
2. Logistics: car transportation, shipping
3. Payment request: EXW/FOB/FCA/CFR only accepted

HONORARY

Chinese name	tert-butyl alcohol
English Name	tert-Butanol
Alias	Tertiary butanol tertiary butanol trimethylmethanol tertiary butanol (chromatographic grade) 2-methyl -2-propanol tertiary butanol, ACS grade reagent tertiary butanol, ultra-dry solvent, J & KSEAL bottle
English alias	tert-Butanol Tert Butanol t-Butyl Alcohol tert-Butyl alcohol tert butyl alcohol 2-Methyl-2-propanol tert-Butanol EMPLURA. 2-Methyl n-propan-2-ol alcoolbutyliquetertiaire tert-Butanol, for analysis ACS tert-Butanol2-Methyl-2-propanol tert-BUTYL ALCOHOL REAGENT (ACS) t -Butyl Alcohol [2-Methyl-2-propool] tert-Butanol for analysis EMSURE ACS,Reag. Ph Eur
CAS	75-65-0
EINECS	200-889-7
Chemical formula	C4H10O
molecular weight	74.12
InChI	InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey	DKGAVHZHDRPRBM-UHFFFAOYSA-N
Density	0.775 g/mL at 25°C (lit.)
melting point	23-26°C (lit.)
boiling point	83°C (lit.)
Flash Point	95°F
water solubility	soluble
Vapor pressure	31mm Hg ( 20 °C)
steam density	2.55 (vs air)
JECFA Number	85
solubility	Water: Miscible
refractive index	n20/D 1.399(lit.)
acidity coefficient	19(at 25℃)
Storage conditions	Store at +5°C to +30°C.
Stability	stability. Very flammable. Incompatible with strong oxidants, copper, copper alloys, alkali metals, and aluminum.
Appearance	Melt as liquid
Color	APHA: ≤20
Smell	Characteristic; camphor-like; pungent.
Maximum wavelength (λmax)	['λ: 215 nm Amax: 1.00', , 'λ: 230 nm Amax: 0.50', , 'λ: 250 nm Amax: 0.20', , 'λ: 30
Merck	14,1542
BRN	906698
explosion limit value	2.3-8.0%(V)
Exposure Limits	TLV-TWA 300 mg/m3 (100 ppm) (ACGIH);IDLH 8000 ppm.
physicochemical properties	tert-butyl alcohol (TBA,tert-butylalcohol), also known as trimethylmethanol, 2-methyl-2-propanol, etc., forms four isomers of butanol together with n-butanol, isobutanol and sec-butanol. Pure product is colorless crystal, there is a small amount of water in the presence of colorless volatile liquid, similar to the smell of camphor, hygroscopic, flammable, and other alcohol compared to a higher toxicity and narcotic. It is soluble in most organic solvents, such as alcohols, esters, ketones, aromatic and aliphatic hydrocarbons, and can form azeotropic mixtures with water. These properties make t-butanol a useful solvent and additive, and it is one of the petrochemical products with a wide range of applications.
Dangerous Goods Signs	Xn-Hazardous Materials F-Flammable Materials T-Toxic Materials
Risk Terms	R11-Highly flammable. , R20-Harmful if inhaled. R39/23/24/25 - R23/ 24/25-Toxic by inhalation, skin contact and swallowing. , R36/37-Irritating to eyes and respiratory system.
Security terminology	S9-Keep container in a well-ventilated place. , S16-Keep away from ignition sources. -S45-In case of accident or feeling unwell, seek medical attention (if possible, show their label). , S36/37-Wear appropriate protective clothing and gloves. -S7-Keep container sealed. -S46-If swallowed, seek medical advice immediately and show the container or label. S26- After contact with eyes, rinse immediately with plenty of water and seek medical advice.
Dangerous Goods Transport Number	UN 1120 3/PG 3
WGK Germany	1
RTECS	EO1925000
TSCA	Yes
Customs Number	29051410
Hazard Class	3
Packing Group	II
Upstream raw materials	phenylethyl alcohol
Downstream Products	Potassium tert-butoxide Acetoacetate tert-butyl tert-butylamine pyridazinone tert-butyl tert-butyl 4-hydroxyanisole timolol

tert-Butanol -Properties

tert-butyl alcohol is colorless crystal, there is a small amount of water in the presence of colorless volatile liquid, similar to the smell of camphor, hygroscopic, soluble in ethanol, ether, and water can form an azeotropic mixture, soluble in most organic solvents, such as alcohols, esters, ketones, aromatic and aliphatic hydrocarbons. It can form an azeotropic mixture with water, with a water content of 21. 76% and an azeotropic point of 79. 92 ℃. Potassium carbonate can be added to the aqueous solution to separate the layers. Flammable, its vapor and air can form an explosive mixture, fire, high heat caused by combustion explosion. Can react strongly with oxidants.

tert-butyl alcohol -preparation

The is made of the mixed C4 fraction after extraction of butadiene as raw material, esterified with 60% ~ 70% sulfuric acid, 99% of isobutylene is absorbed to generate tert-butyl sulfate, and then hydrolyzed to generate tert-butyl alcohol, which is desorbed by water vapor, separated by water, refined and purified to obtain the finished product. Alternatively, the C4 fraction is mixed with soft water in the presence of a cation exchange resin to form tert-butyl alcohol, which is separated and concentrated to obtain tert-butyl alcohol.

tert-Butyl alcohol -Uses

Solvents for determination of molecular weight and reference substances for chromatographic analysis. In addition, it is often used as a solvent for coatings and medicines instead of n-butanol. Used as an internal combustion engine fuel additive (to prevent carburetor icing) and anti-knock agent. As an intermediate in organic synthesis and an alkylation raw material for the production of tert-butyl compounds, it can produce methyl methacrylate, tert-butyl phenol, tert-butylamine, etc. for the synthesis of drugs and fragrances. Isobutene with purity of 99. 0% ~ 99. 9% can be prepared by dehydration of tert-butyl alcohol.

Tertiary butyl alcohol -safety

LD50:3500 mg/kg (rats orally). Compared with other alcohols, it has higher toxicity and narcotic. Inhalation is harmful to the body. Irritating effect on eyes, skin, mucous membranes and respiratory tract. Store in a cool, ventilated warehouse. Keep away from fire and heat source. The temperature of the warehouse should not exceed 30 ℃. Keep container sealed. Should be stored separately with oxidants, acids, etc., do not mix storage.

Tert-Butanol -Introduction

tert-butanol (also known as isobutanol) is an organic compound. the following is on the nature of tert butyl alcohol, use, preparation and safety information of the introduction:

properties:
of 1. tert butyl alcohol is a colorless liquid, with special alcohol taste. 3. tert-Butanol
in water soluble, also with most organic solvent mixture.

uses: 1. tert-butyl alcohol as an organic solvent,
commonly used in paint coatings, cleaning agents and adhesives and other industrial applications.
, 2. it can be used as a synthesis of certain chemicals, such as tert-butyl methyl ether, tert-butyl ketone and so on.

preparation method: tert-butyl alcohol is usually
by tert-butyl aldehyde reduction. 1.
One method is by reacting isobutyraldehyde with hydrogen in the presence of a catalyst to obtain t-butanol. 2.
Another method is when aldehydes are reacted with a reducing agent to form alcohols.

safety information: 1. tert butyl alcohol is a flammable liquid, in the storage and use of
should pay attention to fire prevention measures. 2.
When using tert-butyl alcohol correctly, wear gloves, goggles and protective clothing to avoid contact with skin and eyes. 3. in a well-ventilated place
use tert-butyl alcohol to avoid its vapor concentration is too high. 4. Avoid the
of tert-butyl alcohol with strong oxidants and strong acids and other substances mixed, so as not to cause dangerous reactions. 5. In an emergency, such as leakage or spilling, should immediately take appropriate measures to clean up, and keep the surrounding environment ventilated.

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Chemical Safety Data Sheet MSDS / SDS

tert-Butanol

SECTION 1: Identification of the substance/mixture and of the company/undertaking

Product identifier

Product name: tert-Butanol
CBnumber: CB5206388
CAS: 75-65-0
EINECS Number: 200-889-7
Synonyms: TBA,TERT-BUTANOL

Relevant identified uses of the substance or mixture and uses advised against

Relevant identified uses: For R&D use only. Not for medicinal, household or other use.
Uses advised against: none

SECTION 2: Hazards identification

GHS Label elements, including precautionary statements

Symbol(GHS)

Signal wordDanger

Precautionary statements

P501 Dispose of contents/container to..…

P405 Store locked up.

P403+P235 Store in a well-ventilated place. Keep cool.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P370+P378 In case of fire: Use … for extinction.

P311 Call a POISON CENTER or doctor/physician.

P308+P313 IF exposed or concerned: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P303+P361+P353 IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P271 Use only outdoors or in a well-ventilated area.

P264 Wash skin thouroughly after handling.

P264 Wash hands thoroughly after handling.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P240 Ground/bond container and receiving equipment.

P233 Keep container tightly closed.

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P202 Do not handle until all safety precautions have been read and understood.

P201 Obtain special instructions before use.

Hazard statements

H370 Causes damage to organs

H361 Suspected of damaging fertility or the unborn child

H336 May cause drowsiness or dizziness

H335 May cause respiratory irritation

H332 Harmful if inhaled

H331 Toxic if inhaled

H319 Causes serious eye irritation

H311 Toxic in contact with skin

H301 Toxic if swalloed

H225 Highly Flammable liquid and vapour

SECTION 3: Composition/information on ingredients

Substance

Product name: tert-Butanol
Synonyms: TBA,TERT-BUTANOL
CAS: 75-65-0
EC number: 200-889-7
MF: C4H10O
MW: 74.12

SECTION 4: First aid measures

Description of first aid measures

General advice

Show this material safety data sheet to the doctor in attendance.

If inhaled

After inhalation: fresh air. Call in physician.

In case of skin contact

In case of skin contact: Take off immediately all contaminated clothing. Rinse skin with water/ shower.

In case of eye contact

After eye contact: rinse out with plenty of water. Call in ophthalmologist. Remove contact lenses.

If swallowed

After swallowing: immediately make victim drink water (two glasses at most). Consult a physician.

Most important symptoms and effects, both acute and delayed

The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11

Indication of any immediate medical attention and special treatment needed

No data available

SECTION 5: Firefighting measures

Extinguishing media

Suitable extinguishing media

Carbon dioxide (CO2) Foam Dry powder

Unsuitable extinguishing media

For this substance/mixture no limitations of extinguishing agents are given.

Special hazards arising from the substance or mixture

Carbon oxides

Flash back possible over considerable distance. Combustible.

Pay attention to flashback.

Vapors are heavier than air and may spread along floors.

Development of hazardous combustion gases or vapours possible in the event of fire. Forms explosive mixtures with air at ambient temperatures.

Advice for firefighters

In the event of fire, wear self-contained breathing apparatus.

Further information

In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.Remove container from danger zone and cool with water. Prevent fire extinguishing water from contaminating surface water or the ground water system.

SECTION 6: Accidental release measures

Personal precautions, protective equipment and emergency procedures

Advice for non-emergency personnel: Do not breathe vapors, aerosols. Avoid substance contact. Ensure adequate ventilation. Keep away from heat and sources of ignition.

Evacuate the danger area, observe emergency procedures, consult an expert. For personal protection see section 8.

Environmental precautions

Do not let product enter drains. Risk of explosion.

Methods and materials for containment and cleaning up

Cover drains. Collect, bind, and pump off spills. Observe possible material restrictions (see sections 7 and 10). Take up with liquid-absorbent material (e.g. Chemizorb? ). Dispose of properly. Clean up affected area.

Reference to other sections

For disposal see section 13.

SECTION 7: Handling and storage

Precautions for safe handling

Advice on safe handling

Work under hood. Do not inhale substance/mixture. Avoid generation of vapours/aerosols.

Advice on protection against fire and explosion

Keep away from open flames, hot surfaces and sources of ignition.Take precautionary measures against static discharge.

Hygiene measures

Change contaminated clothing. Preventive skin protection recommended. Wash hands after working with substance.

For precautions see section 2.2.

Conditions for safe storage, including any incompatibilities

Storage conditions

Keep container tightly closed in a dry and well-ventilated place. Keep away from heat and sources of ignition.

Specific end use(s)

Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection

control parameter

Hazard composition and occupational exposure limits

Does not contain substances with occupational exposure limits.

Exposure controls

Personal protective equipment

Eye/face protection

Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Safety glasses

Body Protection

Flame retardant antistatic protective clothing.

Respiratory protection

Recommended Filter type: Filter A (acc. to DIN 3181) for vapours of organic compounds

The entrepeneur has to ensure that maintenance, cleaning and testing of respiratory protective devices are carried out according to the instructions of the producer.

These measures have to be properly documented.

Control of environmental exposure

Do not let product enter drains. Risk of explosion.

Exposure limits

TLV-TWA 300 mg/m³ (100 ppm) (ACGIH); IDLH 8000 ppm.

SECTION 9: Physical and chemical properties

Information on basic physicochemical properties

Appearanceliquid
Odourcamphor-like
Odour Thresholdca.71 ppm
pHat 20 °C neutral
Melting point/freezing pointMelting point/range: 23 - 26 °C
Initial boiling point and boiling range83 °C
Flash point15 °C - closed cup
Evaporation rateNo data available
Flammability (solid, gas)No data available
Upper/lower flammability or explosive limitsUpper explosion limit: 8,0 %(V) Lower explosion limit: 2,3 %(V)
Vapour pressure40,7 hPa at 20 °C
Vapour density2,56
Relative densityNo data available
Water solubilityat 20 °C soluble
Partition coefficient: n-octanol/waterlog Pow: 0,30 - Bioaccumulation is not expected.
Autoignition temperature470 °C at 1.013 hPa
Decomposition temperatureNo data available
ViscosityViscosity, kinematic: No data available Viscosity, dynamic: 3,3 mPa.s at 30 °C
Explosive propertiesNo data available
Oxidizing propertiesNo data available
Henry's Law Constant1.22 at 25 °C (static headspace-GC, Merk and Riederer, 1997)
λmaxλ: 215 nm Amax: 1.00
λ: 230 nm Amax: 0.50
λ: 250 nm Amax: 0.20
λ: 300-350 nm Amax: 0.01

Other safety information

Dissociation constant 19,2 at 20 °C

Relative vapor density

2,56

SECTION 10: Stability and reactivity

Reactivity

Vapors may form explosive mixture with air.

Chemical stability

The product is chemically stable under standard ambient conditions (room temperature) .

Possibility of hazardous reactions

Violent reactions possible with: Alkali metals

Alkaline earth metals Strong acids Aluminum

Strong oxidizing agents

Conditions to avoid

Warming.

Incompatible materials

rubber, various plastics

Hazardous decomposition products

In the event of fire: see section 5

SECTION 11: Toxicological information

Information on toxicological effects

Acute toxicity

LD50 Oral - Rat - male and female - 2.733 mg/kg (US-EPA)
Remarks: (Regulation (EC) No 1272/2008, Annex VI)
Acute toxicity estimate Inhalation - Expert judgment - 4 h - 11,1 mg/l Dermal

Skin corrosion/irritation

Skin - Rabbit
Result: No skin irritation - 24 h (Draize Test)

Serious eye damage/eye irritation

Eyes - Rabbit (US-EPA)

Respiratory or skin sensitization

Sensitisation test (Magnusson and Kligman): - Guinea pig Result: negative
(OECD Test Guideline 406)

Germ cell mutagenicity

Test Type: In vitro mammalian cell gene mutation test Test system: Mouse lymphoma test
Metabolic activation: with and without metabolic activation Method: OECD Test Guideline 476
Result: negative
Test Type: Micronucleus test Species: Mouse
Cell type: Red blood cells (erythrocytes) Application Route: Oral
Method: OECD Test Guideline 474 Result: negative

Carcinogenicity

No data available

Reproductive toxicity

No data available

Specific target organ toxicity - single exposure

Inhalation - May cause respiratory irritation. - Respiratory system Inhalation - May cause drowsiness or dizziness. - Nervous system

Specific target organ toxicity - repeated exposure

No data available

Aspiration hazard

No data available

Toxicity

LD50 orally in rats: 3.5 g/kg (Schaffarzick, Brown)

SECTION 12: Ecological information

Toxicity

Toxicity to fish

flow-through test LC50 - Pimephales promelas (fathead minnow) - > 961 mg/l - 96 h

(OECD Test Guideline 203)

Toxicity to daphnia and other aquatic invertebrates

static test EC50 - Daphnia magna (Water flea) - 933 mg/l - 48 h (Directive 67/548/EEC, Annex V, C.2.)

Toxicity to algae

IC50 - Desmodesmus subspicatus (green algae) - > 1.000 mg/l - 72 h

Remarks: (IUCLID)

Toxicity to bacteria

EC10 - Pseudomonas putida - 6.900 mg/l - 16 h Remarks: (External MSDS)

Persistence and degradability

Biodegradability Result: > 99,9 % - Readily eliminated from water

(OECD Test Guideline 302B)

Bioaccumulative potential

No data available

Mobility in soil

No data available

Results of PBT and vPvB assessment

This substance/mixture contains no components considered to be either persistent, bioaccumulative and toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

Other adverse effects

Stability in water

Remarks: No data available

SECTION 13: Disposal considerations

Waste treatment methods

Product

See www.retrologistik.com for processes regarding the return of chemicals and

containers, or contact us there if you have further questions.

Incompatibilities

tert-Butanol is incompatible with strong acids (including mineral acid), including mineral acids; strong oxidizers or caustics, aliphatic amines; isocyanates, alkali metals (i.e., lithium, sodium, potassium, rubidium, cesium, francium).

Waste Disposal

Incineration, or bury absorbed waste in an approved land fill.

SECTION 14: Transport information

UN number

ADR/RID: 1120 IMDG: 1120

UN proper shipping name

ADR/RID: BUTANOLS IMDG: BUTANOLS IATA: Butanols

Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

Packaging group

ADR/RID: II IMDG: II IATA: II

Environmental hazards

ADR/RID: no IMDG Marine pollutant: no IATA: no

Special precautions for user

No data available

SECTION 15: Regulatory information

Safety, health and environmental regulations/legislation specific for the substance or mixture

Regulations on the Safety Management of Hazardous Chemicals

China Catalog of Hazardous chemicals 2015:Listed. website: https://www.mem.gov.cn/

Measures for Environmental Management of New Chemical Substances

Vietnam National Chemical Inventory:Listed. website: https://chemicaldata.gov.vn/

United States Toxic Substances Control Act (TSCA) Inventory:Listed. website: https://www.epa.gov/

Philippines Inventory of Chemicals and Chemical Substances (PICCS):Listed. website: https://emb.gov.ph/

New Zealand Inventory of Chemicals (NZIoC):Listed. website: https://www.epa.govt.nz/

Korea Existing Chemicals List (KECL):Listed. website: http://ncis.nier.go.kr

European Inventory of Existing Commercial Chemical Substances (EINECS):Listed. website: https://echa.europa.eu/

EC Inventory:Listed.

Chinese Chemical Inventory of Existing Chemical Substances (China IECSC):Listed. website: https://www.mee.gov.cn/

SECTION 16: Other information

Abbreviations and acronyms

ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
CAS: Chemical Abstracts Service
EC50: Effective Concentration 50%
IATA: International Air Transportation Association
IMDG: International Maritime Dangerous Goods
LC50: Lethal Concentration 50%
LD50: Lethal Dose 50%
RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
STEL: Short term exposure limit
TWA: Time Weighted Average

References

【1】CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple

【2】ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp

【3】ECHA - European Chemicals Agency, website: https://echa.europa.eu/

【4】eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en

【5】ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg

【6】Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp

【7】HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm

【8】IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/

【9】IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home

【10】Sigma-Aldrich, website: https://www.sigmaaldrich.com/

Other Information

The odour warning when the exposure limit value is exceeded is insufficient.

Disclaimer:

The information in this MSDS is only applicable to the specified product, unless otherwise specified, it is not applicable to the mixture of this product and other substances. This MSDS only provides information on the safety of the product for those who have received the appropriate professional training for the user of the product. Users of this MSDS must make independent judgments on the applicability of this SDS. The authors of this MSDS will not be held responsible for any harm caused by the use of this MSDS.

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