EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

tert-butanol
2-methylpropan-2-ol

Supplier Sponsors

Name:2-methylpropan-2-ol
CAS Number: 75-65-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:200-889-7
FDA UNII:MD83SFE959
Nikkaji Web:J1.459A
Beilstein Number:0906698
MDL:MFCD00004464
CoE Number:698
XlogP3-AA:0.50 (est)
Molecular Weight:74.12290000
Formula:C4 H10 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:cosmetic, flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:02.052 (Old)
DG SANTE Food Flavourings:02.052 2-methylpropan-2-ol
FDA Mainterm (IAUFC):75-65-0 ; TERT-BUTYL ALCOHOL

 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.78000 to 0.79000 @ 25.00 °C.
Pounds per Gallon - (est).: 6.490 to 6.574
Refractive Index:1.38400 to 1.39000 @ 20.00 °C.
Melting Point: 25.40 °C. @ 760.00 mm Hg
Boiling Point: 82.40 °C. @ 760.00 mm Hg
Boiling Point: 16.00 to 17.00 °C. @ 30.00 mm Hg
Vapor Pressure:40.700000 mmHg @ 25.00 °C.
Vapor Density:2.5 ( Air = 1 )
Flash Point: 51.00 °F. TCC ( 10.56 °C. )
logP (o/w): 0.350
Soluble in:
 alcohol
 water, 1.00E+06 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Description:camphor
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: denaturants
perfuming agents
solvents
 
Suppliers:
Allan Chemical
tert-Butyl Alcohol
EMD Millipore
For experimental / research use only.
tert-Butanol
LyondellBasell Industries
tert-Butyl Alcohol
Penta International
tert-BUTYL ALCOHOL 99%
Santa Cruz Biotechnology
For experimental / research use only.
tert-Butanol ≥99%
Sigma-Aldrich
For experimental / research use only.
tert-Butanol anhydrous, ≥99.5%
TCI AMERICA
For experimental / research use only.
tert-Butanol >99.0%(GC)
Vigon International
Butyl Alcohol Tertiary
Odor: CAMPHOR-LIKE
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 11 - Highly flammable.
R 20 - Harmful by inhalation.
S 02 - Keep out of the reach of children.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 3500 mg/kg
(Schaffarzick & Brown, 1952)

gavage-rat LD50 [sex: M,F] 3046 mg/kg
(Johnson, 1981a)

gavage-rat LD50 [sex: M,F] 2733 mg/kg
(Johnson, 1981b)

oral-rat LD50 > 3800 mg/kg
(Eastman Kodak Co., 1994c)

gavage-rabbit LD50 [sex: M,F] 3560 mg/kg
(Munch, 1972)

parenteral-frog LDLo 12000 mg/kg
PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.

intraperitoneal-mouse LD50 399 mg/kg
LIVER: OTHER CHANGES
Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.

intravenous-mouse LD50 1538 mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.

oral-rabbit LD50 3559 mg/kg
LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: PULSE RATE SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

oral-rat LD50 2743 mg/kg
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
National Technical Information Service. Vol. OTS0572351

Dermal Toxicity:
skin-guinea pig LD50 > 10 ml/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0556680

skin-rabbit LD50 > 2000 mg/kg
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0572351

Inhalation Toxicity:
inhalation-rat LC50 > 10000 ppm/4H
LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0572351

 
Safety in Use Information:
Category: cosmetic, flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf

Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
EPA GENetic TOXicology:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):75-65-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6386
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1120
WGK Germany:1
2-methylpropan-2-ol
Chemidplus:0000075650
EPA/NOAA CAMEO:hazardous materials
RTECS:75-65-0
 
References:
 2-methylpropan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:75-65-0
Pubchem (cid):6386
Pubchem (sid):134971055
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
UM BBD:Search
HMDB (The Human Metabolome Database):HMDB31456
FooDB:FDB006719
Export Tariff Code:2905.14.5050
Haz-Map:View
Household Products:Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 denaturants
 solvents
 
Occurrence (nature, food, other):note
 ginger oil
Search Trop Picture
 grape - 0.25 mg/kg
Search Trop Picture
 guava fruit - 0.0021 mg/kg
Search Trop Picture
 mango fruit - up to 0.1 mg/kg
Search Trop Picture
 
Synonyms:
tert-butanol
tert-butyl alcohol
 butyl alcohol tertiary
tert-butylalcohol
1,1-dimethyl ethanol
2-methyl propan-2-ol
2-methyl-2-propanol
2-methyl-propan-2-ol
2-methylpropan-2-ol
 propan-2-ol, 2-methyl-
2-propanol, 2-methyl-
 trimethyl carbinol
 trimethyl methanol
 trimethylcarbinol
 trimethylmethanol
 

Articles:

PubMed:Enzymatic synthesis of feruloylated lysophospholipid in a selected organic solvent medium.
PubMed:Technical note: quantification of zeins from corn, high-moisture corn, and corn silage using a turbidimetric method: comparative efficiencies of isopropyl and tert-butyl alcohols.
PubMed:Lipase-mediated synthesis of water-soluble plant stanol derivatives in tert-butanol.
PubMed:Methyl tert butyl ether is anti-angiogenic in both in vitro and in vivo mammalian model systems.
PubMed:A two-stage enzymatic process for synthesis of extremely pure high oleic glycerol monooleate.
PubMed:Production of extremely pure diacylglycerol from soybean oil by lipase-catalyzed glycerolysis.
PubMed:Cross-linked enzyme aggregates of naringinase: novel biocatalysts for naringin hydrolysis.
PubMed:Transgenic sorghum with altered kafirin synthesis: kafirin solubility, polymerization, and protein digestion.
PubMed:Kinetic and thermodynamic aspects of the chain-breaking antioxidant activity of ascorbic acid derivatives in non-aqueous media.
PubMed:Thermodynamic analysis of alcohol effect on thermal stability of proteins.
PubMed:Efficient synthesis of 6-O-palmitoyl-1,2-O-isopropylidene-α-D-glucofuranose in an organic solvent system by lipase-catalyzed esterification.
PubMed:Rapid method for determination of residual tert-butanol in liposomes using solid-phase microextraction and gas chromatography.
PubMed:Light-induced oxidation of unsaturated lipids as sensitized by flavins.
PubMed:Effects of riboflavin photosensitization on the degradation of bisphenol A (BPA) in model and real-food systems.
PubMed:Preparation of CLA ascorbyl ester with improved volumetric productivity by an ionic liquid-based reaction system.
PubMed:Effect of alcohols on the stability of iprodione in solution.
PubMed:Effect of ultrasound on enzymatic acylation of konjac glucomannan.
PubMed:Process development of continuous glycerolysis in an immobilized enzyme-packed reactor for industrial monoacylglycerol production.
PubMed:Effects of neutral salts and alcohols on the activity of Streptomyces caespitosus neutral protease.
PubMed:Mechanism of deactivation of triplet-excited riboflavin by ascorbate, carotenoids, and tocopherols in homogeneous and heterogeneous aqueous food model systems.
PubMed:Evaluation of binary solvent mixtures for efficient monoacylglycerol production by continuous enzymatic glycerolysis.
PubMed:Production of ascorbyl palmitate by surfactant-coated lipase in organic media.
PubMed:Synthesis of linoleoyl disaccharides through lipase-catalyzed condensation and their surface activities.
PubMed:Thermal analysis of tertiary butyl alcohol/sucrose/water ternary system.
PubMed:Enzymatic production of monoacylglycerols containing polyunsaturated fatty acids through an efficient glycerolysis system.
PubMed:NMR regulatory analysis: determination and characterization of S-adenosyl-L-methionine in dietary supplements.
PubMed:Stereoselectivity of the generation of 3-mercaptohexanal and 3-mercaptohexanol by lipase-catalyzed hydrolysis of 3-acetylthioesters.
PubMed:Prediction of the equilibrium conversion for the synthesis of acyl hexose through lipase-catalyzed condensation in water-miscible solvent in the presence of molecular sieve.
PubMed:Inhibitory effects of alcohols on thermolysin activity as examined using a fluorescent substrate.
PubMed:Antioxidant synergy and regeneration effect of quercetin, (-)-epicatechin, and (+)-catechin on alpha-tocopherol in homogeneous solutions of peroxidating methyl linoleate.
PubMed:Liquid chromatographic determination of alcohols in food and beverages with indirect polarimetric detection using a beta-cyclodextrin mobile phase.
PubMed:Comparative efficiencies of isopropyl and tert-butyl alcohols for extracting zeins from maize endosperm.
PubMed:Antioxidants and total peroxyl radical-trapping ability of olive and seed oils.
PubMed:Antioxidant mechanism of flavonoids. Solvent effect on rate constant for chain-breaking reaction of quercetin and epicatechin in autoxidation of methyl linoleate.
PubMed:Oxidation of p-hydroxybenzoic acid by Fenton's reagent.
PubMed:Kinetic solvent effects on phenolic antioxidants determined by spectrophotometric measurements.
PubMed:Behavior of four sulfonylurea herbicides in the presence of hydroxy compounds.
PubMed:Reactivity of beta-carotene towards peroxyl radicals studied by laser flash and steady-state photolysis.
PubMed:Preparation and liquid chromatographic analysis of propanediol fatty acid esters.
PubMed:Enzymatic synthesis of sorbitan esters using a low-boiling-point azeotrope as a reaction solvent.
PubMed:Stability-indicating proton nuclear magnetic resonance spectroscopic assay method for furosemide in tablets and injections.
PubMed:A simple enzymatic quantitative analysis of triglycerides in tissues.
PubMed:Effects of ethanol and tertiary-butanol on energy expenditure and substrate utilization in the rat.
PubMed:Headspace gas chromatographic method for determination of ethanol in canned salmon: collaborative study.
PubMed:[The analysis of polysaccharides used as food additives. VIII. Simple qualitative and semiquantitative procedures for the determination of alginates in food].
PubMed:Effects of orally-administered ethanol and tertiary-butanol on fixed-ratio responding of rats.
 
Notes:
tert-Butanol, or 2-methyl-2-propanol (colourless liquid or white solid, depending on the ambient temperature), is the simplest tertiary alcohol. It is one of the four isomers of butanol. tert-Butanol is a clear liquid with a camphor-like odor. It is very soluble in water and miscible with ethanol and diethyl ether. It is unique among the isomers of butanol because it tends to be a solid at room temperature, with a melting point slightly above 25 C. (Wikipedia)
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