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

tert-amyl alcohol
2-methylbutan-2-ol

Supplier Sponsors

Name:2-methylbutan-2-ol
CAS Number: 75-85-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:200-908-9
FDA UNII:69C393R11Z
Nikkaji Web:J4.164E
Beilstein Number:1361351
MDL:MFCD00004478
CoE Number:515
XlogP3:0.90 (est)
Molecular Weight:88.14984000
Formula:C5 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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:02.041 (Old)
DG SANTE Food Flavourings:02.041 2-methylbutan-2-ol
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.80500 to 0.81300 @ 25.00 °C.
Pounds per Gallon - (est).: 6.698 to 6.765
Refractive Index:1.40200 to 1.40800 @ 20.00 °C.
Melting Point: -9.00 to -8.00 °C. @ 760.00 mm Hg
Boiling Point: 102.00 to 103.00 °C. @ 760.00 mm Hg
Boiling Point: 19.00 to 20.00 °C. @ 10.00 mm Hg
Vapor Pressure:16.800000 mmHg @ 25.00 °C.
Vapor Density:3.0 ( Air = 1 )
Flash Point: 70.00 °F. TCC ( 21.11 °C. )
logP (o/w): 0.890
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 1.10E+05 mg/L @ 25 °C (exp)
Similar Items:note
amyl alcohol
isoamyl alcohol
neoamyl alcohol
sec-amyl alcohol
sec-isoamyl alcohol
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Odor Description:pungent
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BASF
tert-Amyl Alcohol
Penta International
TERT-AMYL ALCOHOL
Santa Cruz Biotechnology
For experimental / research use only.
2-Methyl-2-butanol ≥97%
Sigma-Aldrich
For experimental / research use only.
2-Methyl-2-butanol anhydrous, ≥99%
TCI AMERICA
For experimental / research use only.
tert-Amyl Alcohol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20 - Harmful by inhalation.
R 37/38 - Irritating to respiratory system and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 1000 mg/kg
(Schaffarzick & Brown, 1952)

oral-rat LD50 1000 - 2000 mg/kg
(Dow Chemical Company, 1982b)

gavage-rabbit LD50 [sex: M,F] 2027 mg/kg
(Munch, 1972)

parenteral-frog LDLo 4000 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.

unreported-man LDLo 441 mg/kg
"Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.

intravenous-mouse LD50 610 mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.

intraperitoneal-mouse LDLo 2000 mg/kg
Skandinavisches Archiv fuer Physiologie. Vol. 79, Pg. 258, 1938.

oral-mouse LDLo 2500 mg/kg
"Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.

oral-rabbit LD50 2028 mg/kg
SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: PULSE RATE
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

oral-rat LD50 1000 mg/kg
BEHAVIORAL: ATAXIA
Science. Vol. 116, Pg. 663, 1952.

intraperitoneal-rat LDLo 1530 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.

Dermal Toxicity:
subcutaneous-mouse LD50 2100 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.

subcutaneous-rat LDLo 1400 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 49, Pg. 36, 1933.

Inhalation Toxicity:
inhalation-rat LCLo 5700 ppm/6H
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0536478

 
Safety in Use Information:
Category: flavoring agents
Recommendation for tert-amyl alcohol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.70 (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
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):75-85-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6405
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1105
WGK Germany:1
2-methylbutan-2-ol
Chemidplus:0000075854
EPA/NOAA CAMEO:hazardous materials
RTECS:SC0175000 for cas# 75-85-4
 
References:
 2-methylbutan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:75-85-4
Pubchem (cid):6405
Pubchem (sid):134971220
 
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
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
KEGG (GenomeNet):D02931
HMDB (The Human Metabolome Database):HMDB33772
FooDB:FDB011925
Export Tariff Code:2905.15.0000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
Formulations/Preparations:
grades: technical; cp; nf.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 apple plant
Search Trop Picture
 cherimoya - up to 0.1 mg/kg
Search Trop Picture
 chicken - 0.0007 mg/kg
Search PMC Picture
 loquat fruit - up to 0.1 mg/kg
Search Trop Picture
 passion fruit - up to 0.01 mg/kg
Search Trop Picture
 pepper bell pepper fruit
Search Trop Picture
 rum - 0.2 mg/kg
Search PMC Picture
 sapodilla fruit - 0.00002 mg/kg
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 
Synonyms:
tert-N-amyl alcohol
tert-amylalcohol
 butan-2-ol, 2-methyl-
 dimethyl ethyl carbinol
1,1-dimethyl-1-propanol
 dimethylethyl carbinol
 dimethylethylcarbinol
 ethyl dimethyl carbinol
2-ethyl-2-propanol
 ethyldimethylcarbinol
2-methyl butan-2-ol
2-methyl-2-butanol
2-methylbutan-2-ol
3-methylbutan-3-ol
tert-pentanol
tert-pentyl alcohol
 

Articles:

PubMed:A molecular dynamics study of guest-host hydrogen bonding in alcohol clathrate hydrates.
PubMed:Potent, Metabolically Stable 2-Alkyl-8-(2H-1,2,3-triazol-2-yl)-9H-adenines as Adenosine A2A Receptor Ligands.
PubMed:Atmospheric degradation of 2-butanol, 2-methyl-2-butanol, and 2,3-dimethyl-2-butanol: OH kinetics and UV absorption cross sections.
PubMed:Influence of glucose solubility and dissolution rate on the kinetics of lipase catalyzed synthesis of glucose laurate in 2-methyl 2-butanol.
PubMed:Profiling of volatile compounds in APC(Min/+) mice blood by dynamic headspace extraction and gas chromatography/mass spectrometry.
PubMed:Efficient mono-acylation of fructose by lipase-catalyzed esterification in ionic liquid co-solvents.
PubMed:Acute intoxication due to tert-amyl alcohol--a case report.
PubMed:Esterification degree of fructose laurate exerted by Candida antarctica lipase B in organic solvents.
PubMed:Full model for reversible kinetics of lipase-catalyzed sugar-ester synthesis in 2-methyl 2-butanol.
PubMed:Highly efficient enzymatic synthesis of an ascorbyl unstaturated fatty acid ester with ecofriendly biomass-derived 2-methyltetrahydrofuran as cosolvent.
PubMed:New automated synthesis of [18F]FP-CIT with base amount control affording high and stable radiochemical yield: a 1.5-year production report.
PubMed:Synthesis and tribological investigation of lipoyl glycerides.
PubMed:Oligomerization of 10,16-dihydroxyhexadecanoic acid and methyl 10,16-dihydroxyhexadecanoate catalyzed by lipases.
PubMed:Kinetic study of the gas phase reactions of a series of alcohols with the NO3 radical.
PubMed:[Synthesis of glucose laurate monoester catalyzed by Candida antarctica lipase B-displaying Pichia pastoris whole-cells].
PubMed:1,4-Bis(1,1-dimethyl-prop-yl)-2,5-dimeth-oxy-benzene.
PubMed:Sucrose monolaurate synthesis with Protex 6L immobilized on electrospun TiO2 nanofiber.
PubMed:Lipase-catalyzed synthesis of two new antioxidants: 4-O- and 3-O-palmitoyl chlorogenic acids.
PubMed:The effects of organic solvents on the efficiency and regioselectivity of N-acetyl-lactosamine synthesis, using the β-galactosidase from Bacillus circulans in hydro-organic media.
PubMed:Solid/gas biocatalysis: an appropriate tool to study the influence of organic components on kinetics of lipase-catalyzed alcoholysis.
PubMed:[Metabolism and toxicity of n-pentane and isopentane].
PubMed:Lipase-catalyzed regioselective acylation of sucrose in two-solvent mixtures.
PubMed:Spectroscopic identification of amyl alcohol hydrates through free OH observation.
PubMed:Monopalmityloxy shikimic acid: enzymatic synthesis and anticoagulation activity evaluation.
PubMed:A kinetic study of the synthesis of ascorbate fatty acid esters catalysed by immobilized lipase in organic media.
PubMed:Antitumour activity of fatty acid maltotriose esters obtained by enzymatic synthesis.
PubMed:Reactions of hydroxyl radicals with alkenes in low-temperature matrices.
PubMed:Synthesis, chromatographic resolution, and anti-human immunodeficiency virus activity of (+/-)-calanolide A and its enantiomers.
PubMed:Metabolism of [U-14C]-4-hydroxybutyric acid to intermediates of the tricarboxylic acid cycle in extracts of rat liver and kidney mitochondria.
PubMed:Effects of neutral salts and alcohols on the activity of Streptomyces caespitosus neutral protease.
PubMed:Enzymatic synthesis of capsaicin analogs and their effect on the T-type Ca2+ channels.
PubMed:In silico prediction of medium effects on esterification equilibrium using the COSMO-RS method.
PubMed:Investigation of the explosive hazard of mixtures containing hydrogen peroxide and different alcohols.
PubMed:Economically pertinent continuous amide formation by direct lipase-catalyzed amidation with ammonia.
PubMed:Combining solvent engineering and thermodynamic modeling to enhance selectivity during monoglyceride synthesis by lipase-catalyzed esterification.
PubMed:Enzymatic preparation of biosurfactants from sugars or sugar alcohols and fatty acids in organic media under reduced pressure.
PubMed:Cholesterol autoxidation: identification of the volatile fragments.
PubMed:Theoretical study of the role of solvent H2O in neopentyl and pinacol rearrangements.
PubMed:Relative and absolute kinetic studies of 2-butanol and related alcohols with tropospheric Cl atoms.
PubMed:Regioselective acylation of flavonoids catalyzed by immobilized Candida antarctica lipase under reduced pressure.
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:Behavior of silica aerogel networks as highly porous solid solvent media for lipases in a model transesterification reaction.
PubMed:Ester synthesis from trimethylammonium alcohols in dry organic media catalyzed by immobilized Candida antarctica lipase B.
PubMed:Enzymatic acylation of di- and trisaccharides with fatty acids: choosing the appropriate enzyme, support and solvent.
PubMed:Prediction of Phase Behavior in Microemulsion Systems Using Artificial Neural Networks
PubMed:Optimization of dextran production by Leuconostoc mesenteroides NRRL B-512 using cheap and local sources of carbohydrate and nitrogen.
PubMed:Modification of flavonoid using lipase in non-conventional media: effect of the water content.
 
Notes:
Isol. from strawberry aroma
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