Flavouring ingredient. Present in apple, cider, grape, honey, wine, orange juice and strawberry
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
      US Email: Customer Service
      US Voice: (404) 524-6744
      US Fax: (404) 577-1651
      W1391 3-methyl-2-butanol
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      13-29900 dl-3-METHYL-2-BUTANOL, Kosher
  • Sigma-Aldrich
    • Sigma-Aldrich
      Complete Supply Chain
      The perfect blend of products and services that bring your creativity to life.
      Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
      Email: Information
      US Email: Sales
      US Voice: 800-244-1173
      US Fax: 800-368-4661
      Certified Food Grade Products
      W370304 DL-3-Methyl-2-butanol, ≥98%, FG
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide.
      Email: Sales
      US Email: Sales
      Email: Global Business
      Voice: +81-3-5640-8878
      Fax: +81-3-5640-8902
      US Voice: 800-423-8616
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      Tokyo Tel:03-5640-8851
      Tokyo Fax:03-5640-8865
      M0171 3-Methyl-2-butanol >98.0%(GC)
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3-methylbutan-2-ol (Click)
CAS Number: 598-75-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 209-950-2
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
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.81800 @  25.00 °C.
Refractive Index: 1.40900 @  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:
 water, 3.284e+004 mg/L @ 25 °C (est)
 water, 5.60E+04 mg/L @ 25 °C (exp)
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Organoleptic Properties:
Odor Type: fruity
Odor Description:
 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)
 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)
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Cosmetic Information:
None found
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CTC Organics
Penta International
dl-3-METHYL-2-BUTANOL, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
DL-3-Methyl-2-butanol, ≥98%, FG
Certified Food Grade Products
For experimental / research use only.
3-Methyl-2-butanol >98.0%(GC)
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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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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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
Click here to view publication 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: --
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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
Chemidplus: 0000598754
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NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 598-75-4
Pubchem (cid): 11732
Pubchem (sid): 134976185
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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
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
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Potential Blenders and core components note
For Odor
sec-hexyl alcoholFL/FR
isopropyl alcoholFL/FR
isoamyl alcoholFL/FR
 benzaldehyde glycrol acetalFL/FR
 cyclohexyl acetateFL/FR
 ethyl isobutyrateFL/FR
 hexyl propionateFL/FR
For Flavor
No flavor group found for these
sec-hexyl alcoholFL/FR
 hexyl propionateFL/FR
 methyl 2-hydroxy-4-methyl valerateFL
isopropyl alcoholFL/FR
 ethyl isobutyrateFL/FR
 benzaldehyde glycrol acetalFL/FR
isoamyl alcoholFL/FR
 cyclohexyl acetateFL/FR
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 apple fruit
Search  PMC Picture
Search Trop  Picture
 cheese gruyere cheese
Search  PMC Picture
 cheese swiss cheese
Search  PMC Picture
Search  PMC Picture
Search Trop  Picture
 elderberry fruit juice
Search Trop  Picture
Search Trop  Picture
Search  PMC Picture
 orange fruit juice
Search Trop  Picture
 plum fruit
Search Trop  Picture
Search Trop  Picture
 strawberry wild strawberry fruit
Search Trop  Picture
Search  Picture
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sec-isoamyl alcohol
 butan-2-ol, 3-methyl-
2-butanol, 3-methyl-
3-methyl butan-2-ol
 methyl isopropyl carbinol
(±)-isopropyl methyl carbinol
isopropyl methyl carbinol
 secondary isoamyl alcohol
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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].
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