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

3-methyl-2-butanol
3-methylbutan-2-ol

Supplier Sponsors

Name:3-methylbutan-2-ol
CAS Number: 598-75-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-950-2
FDA UNII:93FF0F303R
Nikkaji Web:J43.343H
Beilstein Number:1718800
MDL:MFCD00004527
CoE Number:11696
XlogP3:1.30 (est)
Molecular Weight:88.14984000
Formula:C5 H12 O
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated 3-methyl-2-butanol (CASrn as in Register). (R)- or (S)- enantiomer not specified by CASrn in Register.
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
JECFA Food Flavoring:300 3-methyl-2-butanol
FLAVIS Number:02.111 (Old)
DG SANTE Food Flavourings:02.111 3-methylbutan-2-ol
FEMA Number:3703 3-methyl-2-butanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-METHYL-2-BUTANOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81700 to 0.82400 @ 20.00 °C.
Pounds per Gallon - (est).: 6.806 to 6.864
Refractive Index:1.40600 to 1.41100 @ 20.00 °C.
Boiling Point: 112.00 to 114.00 °C. @ 760.00 mm Hg
Vapor Pressure:10.570000 mm/Hg @ 25.00 °C. (est)
Flash Point: 80.00 °F. TCC ( 26.67 °C. )
logP (o/w): 1.280
Shelf Life: 12.00 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, 3.284e+004 mg/L @ 25 °C (est)
 water, 5.60E+04 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Type: fruity
Odor Description:fruity
musty alcoholic fusel vegetable cider cocoa cheesy
Odor Description:at 1.00 %. impacting, musty, alcoholic, fuesl like, with nuances of vegetables, cider, cocoa and cheese
Mosciano, Gerard, (2009)
Flavor Type: fusel
musty alcoholic fusel vegetable cider cocoa cheesy
Taste Description: at 10.00 ppm. impacting, musty, alcoholic, fusel like, with nuances of vegetables, cider, cocoa and cheese
Mosciano, Gerard, (2009)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
3-methyl-2-butanol
Penta International
dl-3-METHYL-2-BUTANOL, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-2-butanol
Sigma-Aldrich
DL-3-Methyl-2-butanol, ≥98%, FG
Certified Food Grade Products
Synerzine
3-Methyl-2-butanol
TCI AMERICA
For experimental / research use only.
3-Methyl-2-butanol >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 - 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-methyl-2-butanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 13
 average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -5.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: --
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -10.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -10.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 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

EPI System: View
EPA Substance Registry Services (TSCA):598-75-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11732
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1105
WGK Germany:1
3-methylbutan-2-ol
Chemidplus:0000598754
 
References:
 3-methylbutan-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:598-75-4
Pubchem (cid):11732
Pubchem (sid):134976185
 
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 Everything Added to Food in the United States (EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33777
FooDB:FDB011931
YMDB (Yeast Metabolome Database):YMDB01346
Export Tariff Code:2905.19.1000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
alcoholic
sec-
hexyl alcohol
FL/FR
iso
propyl alcohol
FL/FR
fermented
iso
amyl alcohol
FL/FR
2-
pentanol
FL/FR
fruity
benzaldehyde glycrol acetal
FL/FR
cyclohexyl acetate
FL/FR
ethyl isobutyrate
FL/FR
hexyl propionate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
For Flavor
No flavor group found for these
sec-
hexyl alcohol
FL/FR
hexyl propionate
FL/FR
methyl 2-hydroxy-4-methyl valerate
FL
2-
methyl-1-butanol
FL/FR
alcoholic
alcoholic
iso
propyl alcohol
FL/FR
ethereal
ethyl isobutyrate
FL/FR
fruity
benzaldehyde glycrol acetal
FL/FR
fusel
iso
amyl alcohol
FL/FR
musty
2-
pentanol
FL/FR
solvent
cyclohexyl acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 celery
Search Trop Picture
 cheese gruyere cheese
Search PMC Picture
 cheese swiss cheese
Search PMC Picture
 cider
Search PMC Picture
 cocoa
Search Trop Picture
 elderberry fruit juice
Search Trop Picture
 grape
Search Trop Picture
 honey
Search PMC Picture
 orange fruit juice
Search Trop Picture
 plum fruit
Search Trop Picture
 soybean
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 wine
Search Picture
 
Synonyms:
sec-isoamyl alcohol
 butan-2-ol, 3-methyl-
2-butanol, 3-methyl-
1,2-dimethyl-1-propanol
1,1-dimethyl-2-propanol
1,2-dimethylpropanol
3-methyl butan-2-ol
 methyl isopropyl carbinol
DL-3-methyl-2-butanol
dextro,laevo-3-methyl-2-butanol
2-methyl-3-butanol
3-methylbutan-2-ol
 methylisopropylcarbinol
(±)-isopropyl methyl carbinol
isopropyl methyl carbinol
isopropylmethylcarbinol
 secondary isoamyl alcohol
 

Articles:

PubMed:Premicellar interaction of PEO-PPO-PEO triblock copolymers with partially hydrophobic alcohols: NMR study.
PubMed:Kinetic study of the gas phase reactions of a series of alcohols with the NO3 radical.
PubMed:Synthesis of short-chain diols and unsaturated alcohols from secondary alcohol substrates by the Rieske nonheme mononuclear iron oxygenase MdpJ.
PubMed:Intensely luminescent homoleptic alkynyl decanuclear gold(I) clusters and their cationic octanuclear phosphine derivatives.
PubMed:Microbial ethanol production: experimental study and multivariate evaluation.
PubMed:The in-situ solid-state NMR spectroscopy investigation of alcoholic lactose suspensions.
PubMed:Spectroscopic identification of amyl alcohol hydrates through free OH observation.
PubMed:Relative and absolute kinetic studies of 2-butanol and related alcohols with tropospheric Cl atoms.
PubMed:Isotope effects on the unimolecular dissociation of ionized 3-methyl-2-butanol: reactions via a long-lived C-H-C hydrogen-bridged ion-neutral complex.
PubMed:Theoretical study of the stereoselective additions of chiral alcohols to ketenes.
PubMed:Volatile metabolites produced by three strains of Stachybotrys chartarum cultivated on rice and gypsum board.
PubMed:Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase.
PubMed:Size as a parameter for solvent effects on Candida antarctica lipase B enantioselectivity.
PubMed:Enantioseparation of chiral amino acids as the N(O,S)-ethoxycarbonylated diastereomeric esters by achiral dual-capillary column gas chromatography.
PubMed:Determination of selected microbial volatile organic compounds by diffusive sampling and dual-column capillary GC-FID--a new feasible approach for the detection of an exposure to indoor mould fungi?
PubMed:Rational design of enantioselective enzymes requires considerations of entropy.
PubMed:Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in melón de olor fruit pulp (Sicana odorifera).
PubMed:Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study.
PubMed:Reactions of hydroxyl radicals with alkenes in low-temperature matrices.
PubMed:Molecular modeling of the enantioselectivity in lipase-catalyzed transesterification reactions.
PubMed:[Metabolism and toxicity of n-pentane and isopentane].
PubMed:Aflatoxin production in cultures of Aspergillus flavus incubated in atmospheres containing selected cotton leaf-derived volatiles.
PubMed:Stereospecific oxidation of secondary alcohols by human alcohol dehydrogenases.
PubMed:[A micro method for the determination of the configuration of histidine in peptides: evidence for partial racemization during peptide synthesis (author's transl)].
PubMed:Chromatographic separation of diastereoisomeric esters-II Mandelates and lactates of 2-methylbutanol-1, 3-methylbutanol-2, pentanol-2 and hexanol-2.
PubMed:[Pharmacological study of 2-(2,4-dimethoxyphenyl)-3-methyl-2-butanol].
PubMed:[Determination of 3-methyl-2-butanol and 3-pentanol in the products of alcohol fermentation].
 
Notes:
Flavouring ingredient. Present in apple, cider, grape, honey, wine, orange juice and strawberry
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy