4-methyl-2-pentanol

2-pentanol, 4-methyl-

CAS: 108-11-2 C6 H14 O MW: 102.17678000 pungent

Identification

Name4-methyl-2-pentanol
IUPAC4-methylpentan-2-ol
CAS Number108-11-2
EINECS203-551-7
FDA UNII8U34XJK0R0
Molecular FormulaC6 H14 O
Molecular Weight102.17678000
MDL NumberMFCD03093077
Nikkaji NumberJ2.414G
Beilstein1098268
CoE Number10279

Regulatory

DG SANTE Food Flavourings02.183 4-methylpentan-2-ol

Physical Properties

Appearance colorless clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.80200 to 0.80800 @ 25.00 °C.
Pounds per Gallon - (est). 6.673 to 6.723
Refractive Index 1.40700 to 1.41400 @ 20.00 °C.
Melting Point -90.00 °C. @ 760.00 mm Hg
Boiling Point 132.00 °C. @ 760.00 mm Hg
Vapor Pressure 3.679000 mmHg @ 25.00 °C. (est)
Vapor Density 3.5 ( Air = 1 )
Flash Point 106.00 °F. TCC ( 41.11 °C. )
logP (o/w) 1.546 (est)
Soluble in alcohol

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 1.00 % in dipropylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 2590 mg/kg
Dermal Toxicityskin-rabbit LD50 3560 ul/kg
Inhalation Toxicityinhalation-rat LCLo 2000 ppm/4H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
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

annatto - up to 0.111 mg/kg beer bantu beer PMC brandy apple brandy PMC citrus fruits - up to 0.111 mg/kg PMC cocoa eucalyptus loxophleba olive oil peanut peas PMC vinegar

Synonyms

iso butyl methyl carbinol iso butylmethylcarbinol iso butylmethylmethanol methyl isobutyl carbinol p- methyl isobutyl carbinol para- methyl isobutyl carbinol 4- methyl pentan-2-ol 4- methyl-2-amyl alcohol (±)-4- methyl-2-pentanol 4- methyl-2-pentanol 4- methyl-2-pentyl alcohol 2- methyl-4-pentanol methylisobutylcarbinol DL- methylisobutylcarbinol 4- methylpentan-2-ol pentan-2-ol, 4-methyl- 4- pentanol, 2-methyl- 2- pentanol, 4-methyl- PubMed: An investigation of bubble coalescence and post-rupture oscillation in non-ionic surfactant solutions using high-speed cinematography. PubMed: Surface potential of 1-hexanol solution: comparison with methyl isobutyl carbinol. PubMed: Unusual dielectric strength of Debye relaxation in monohydroxy alcohols upon mixing. PubMed: Syntheses of enantiopure aliphatic secondary alcohols and acetates by bioresolution with lipase B from Candida antarctica. PubMed: Intensely luminescent homoleptic alkynyl decanuclear gold(I) clusters and their cationic octanuclear phosphine derivatives. PubMed: Surface potential of methyl isobutyl carbinol adsorption layer at the air/water interface. PubMed: Fast and accurate algorithm for the simulation of NMR spectra of large spin systems. PubMed: The effect of oxygen on chemical dechlorination of dieldrin using iron sulphides. PubMed: Effect of soil organic carbon on the quantification of jet-fuels in soil using partitioning tracer method. PubMed: Fragrance material review on 4-methyl-2-pentanol. PubMed: A robust method for quantification of volatile compounds within and between vintages using headspace-solid-phase micro-extraction coupled with GC-MS--application on Semillon wines. PubMed: Selective separation of virgin and post-consumer polymers (PET and PVC) by flotation method. PubMed: Stir bar sorptive extraction of volatile compounds in vinegar: validation study and comparison with solid phase microextraction. PubMed: Phenolic and volatile compounds of extra virgin olive oil (Olea europaea L. Cv. Cornicabra) with regard to fruit ripening and irrigation management. PubMed: High extraction efficiency fiber coated with calix[4] open-chain crown ether for solid-phase microextraction of polar aromatic and aliphatic compounds. PubMed: Preparation of novel solid-phase microextraction fibers by sol-gel technology for headspace solid-phase microextraction-gas chromatographic analysis of aroma compounds in beer. PubMed: Safety assessment of MIBK (methyl isobutyl ketone). PubMed: Comparative metabolism of methyl isobutyl carbinol and methyl isobutyl ketone in male rats. PubMed: Aroma composition changes in early season grapefruit juice produced from thermal concentration. PubMed: Characterisation of whiskeys using solid-phase microextraction with gas chromatography-mass spectrometry. PubMed: Measuring the aromatic potential of Vitis vinifera L. Cv. Sauvignon blanc grapes by assaying S-cysteine conjugates, precursors of the volatile thiols responsible for their varietal aroma. PubMed: Tissue concentrations of methyl isobutyl ketone, methyl n-butyl ketone and their metabolites after oral or inhalation exposure. PubMed: Pharmacodynamic and metabolic interactions between ethanol and two industrial solvents (methyl n-butyl ketone and methyl isobutyl ketone) and their principal metabolites in mice. PubMed: Metabolic fate of methyl n-butyl ketone, methyl isobutyl ketone and their metabolites in mice. PubMed: Potentiation of chloroform-induced hepatotoxicity by methyl isobutyl ketone and two metabolites. PubMed: Exposure to methyl isobutyl ketone: toxicokinetics and occurrence of irritative and CNS symptoms in man. PubMed: Methyl isobutyl ketone metabolites and potentiation of the cholestasis induced in rats by a manganese-bilirubin combination or manganese alone. PubMed: [Gas-chromatographic determination of methyl-isobutyl ketone, methyl-isobutyl carbinol, acetone, toluene and o-xylene vapors in the air]. PubMed: Selective extraction and separation of iron(III) with 4-methylpentan-2-ol.