tert-amyl alcohol

2-methylbutan-2-ol

CAS: 75-85-4 C5 H12 O MW: 88.14984000

Identification

Nametert-amyl alcohol
IUPAC2-methylbutan-2-ol
CAS Number75-85-4
EINECS200-908-9
FDA UNII69C393R11Z
Molecular FormulaC5 H12 O
Molecular Weight88.14984000
MDL NumberMFCD00004478
Nikkaji NumberJ4.164E
Beilstein1361351
CoE Number515
XlogP30.90 (est)

Regulatory

DG SANTE Food Flavourings02.041 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, 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
Similar Items note

Organoleptic Properties

Odor Description pungent

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 1000 mg/kg
Dermal Toxicitysubcutaneous-mouse LD50 2100 mg/kg
Inhalation Toxicityinhalation-rat LCLo 5700 ppm/6H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE\nBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)']

Safety in Use

Categoryflavoring agents
Recommendation for tert-amyl alcohol usage levels up tonot 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 Concern540 (μg/person/day)
Structure ClassII
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

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Potential Uses

None Found

Natural Occurrence

apple plant cherimoya - up to 0.1 mg/kg chicken - 0.0007 mg/kg PMC loquat fruit - up to 0.1 mg/kg passion fruit - up to 0.01 mg/kg pepper bell pepper fruit rum - 0.2 mg/kg PMC sapodilla fruit - 0.00002 mg/kg strawberry wild strawberry fruit

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 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.