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4-methyl-2-pentanol

Chemical Structure

General Material Information

Preferred name 4-methyl-2-pentanol
Trivial Name 4-Methyl-2-pentanol
Short Description 2-pentanol, 4-methyl-
Formula C6 H14 O
CAS Number 108-11-2
Flavis Number 2.183
ECHA Number 203-551-7
FDA UNII 8U34XJK0R0
Nikkaji Number J2.414G
Beilstein Number 1098268
MDL MFCD03093077
COE Number 10279
xLogP3-AA 1.70 (est)
NMR Predictor External link
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-
  • 4-methylpentan-2-ol
  • 2-Pentanol, 4-methyl-
  • 3-MIC
  • Isobutylmethylmethanol
  • MAOH
  • 2-Methyl-4-pentanol
  • MIBC
  • MIC
  • Isobutylmethylcarbinol
  • 4-Methyl-2-pentyl alcohol
  • 1,3-Dimethyl-1-butanol
  • 4-Methyl-2-amyl alcohol
  • dl-Methylisobutylcarbinol
  • (±)-4-Methyl-2-pentanol
  • NSC 9384
  • 1,3-Dimethylbutyl alcohol
  • 1,3-Dimethylbutanol

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

4-methylpentan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:108-11-2
Pubchem (cid):7910
Pubchem (sid):134972891
Publications by PubMed
An investigation of bubble coalescence and post-rupture oscillation in non-ionic surfactant solutions using high-speed cinematography.
Surface potential of 1-hexanol solution: comparison with methyl isobutyl carbinol.
Unusual dielectric strength of Debye relaxation in monohydroxy alcohols upon mixing.
Syntheses of enantiopure aliphatic secondary alcohols and acetates by bioresolution with lipase B from Candida antarctica.
Intensely luminescent homoleptic alkynyl decanuclear gold(I) clusters and their cationic octanuclear phosphine derivatives.
Surface potential of methyl isobutyl carbinol adsorption layer at the air/water interface.
Fast and accurate algorithm for the simulation of NMR spectra of large spin systems.
The effect of oxygen on chemical dechlorination of dieldrin using iron sulphides.
Effect of soil organic carbon on the quantification of jet-fuels in soil using partitioning tracer method.
Fragrance material review on 4-methyl-2-pentanol.
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.
Selective separation of virgin and post-consumer polymers (PET and PVC) by flotation method.
Stir bar sorptive extraction of volatile compounds in vinegar: validation study and comparison with solid phase microextraction.
Phenolic and volatile compounds of extra virgin olive oil (Olea europaea L. Cv. Cornicabra) with regard to fruit ripening and irrigation management.
High extraction efficiency fiber coated with calix[4] open-chain crown ether for solid-phase microextraction of polar aromatic and aliphatic compounds.
Preparation of novel solid-phase microextraction fibers by sol-gel technology for headspace solid-phase microextraction-gas chromatographic analysis of aroma compounds in beer.
Safety assessment of MIBK (methyl isobutyl ketone).
Comparative metabolism of methyl isobutyl carbinol and methyl isobutyl ketone in male rats.
Aroma composition changes in early season grapefruit juice produced from thermal concentration.
Characterisation of whiskeys using solid-phase microextraction with gas chromatography-mass spectrometry.
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.
Tissue concentrations of methyl isobutyl ketone, methyl n-butyl ketone and their metabolites after oral or inhalation exposure.
Pharmacodynamic and metabolic interactions between ethanol and two industrial solvents (methyl n-butyl ketone and methyl isobutyl ketone) and their principal metabolites in mice.
Metabolic fate of methyl n-butyl ketone, methyl isobutyl ketone and their metabolites in mice.
Potentiation of chloroform-induced hepatotoxicity by methyl isobutyl ketone and two metabolites.
Exposure to methyl isobutyl ketone: toxicokinetics and occurrence of irritative and CNS symptoms in man.
Methyl isobutyl ketone metabolites and potentiation of the cholestasis induced in rats by a manganese-bilirubin combination or manganese alone.
[Gas-chromatographic determination of methyl-isobutyl ketone, methyl-isobutyl carbinol, acetone, toluene and o-xylene vapors in the air].
Selective extraction and separation of iron(III) with 4-methylpentan-2-ol.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grade: technical

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 102.17678070068
Specific gravity @ 25 °C
Pounds per Gallon 6.673 to 6.723
Refractive Index 1.407 to 1.414 @ 20 °C
Vapor Pressure 3.679 mmHg @ 25 °C
Vapor Density 3.5
Flash Point TCC Value 41.11 °C TCC
logP (o/w) 1.546 est
Solubility
alcohol Yes
water, 1.38e+004 mg/L @ 25 °C (est) Yes
water, 1.64E+04 mg/L @ 25 °C (exp) Yes

Organoleptic Properties

Odor Type: Pungent
pungent, alcoholic
General comment At 1.00 % in dipropylene glycol. pungent alcohol

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 37 - Irritating to respiratory system.
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 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable 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 2590 mg/kg
(Smyth et al., 1951)

oral-mouse LD50 1500 mg/kg
(McOmie & Anderson, 1949a)

intraperitoneal-mouse LD50 812 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.

oral-mouse LDLo 1000 mg/kg
GASTROINTESTINAL: OTHER CHANGES
University of California, Berkeley, Publications in Pharmacology. Vol. 2, Pg. 217, 1949.

oral-rat LD50 2590 mg/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Dermal Toxicity:
skin-rabbit LD50 3560 ul/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

skin-rabbit LD50 3560 uL/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Inhalation Toxicity:
inhalation-rat LCLo 2000 ppm/4H
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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 Concern:1800 (μg/person/day)
Structure Class: I
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
Chewing gum (05.3): --
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 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):108-11-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7910
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2053
WGK Germany:1
4-methylpentan-2-ol
Chemidplus:0000108112
EPA/NOAA CAMEO:hazardous materials
RTECS:108-11-2