3-mercapto-2-methyl-1-butanol
erythro- and threo-3-mercapto-2-methylbutan-1-ol
 
Notes:
Used as a food additive [EAFUS]
  • CSA
  • M&U International
    • M&U International LLC
      Steady supply & demand
      Meeting customers increasing demands at home as well as abroad.
      M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers.
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      Fax: +86-21-32515502 64204960
      US Voice: 908-359-9000
      US Fax: 908-359-9002
      News
      Product(s):
      H0207 3-Mercapto-2-methyl-1-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
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      Product(s):
      13-15659 3-MERCAPTO-2-METHYL-1-BUTANOL
       
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CAS Number: 227456-33-9Picture of molecule3D/inchi
FDA UNII: 37ZRE7AMO5
Nikkaji Web: J2.438.079C
XlogP3-AA: 1.10 (est)
Molecular Weight: 120.21484000
Formula: C5 H12 O S
NMR Predictor: Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments: Racemate. According to JECFA: The racemate was used in the toxicological evaluation. Mixture of four diastereoisomers, each about 25 % (EFFA, 2014).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Google Scholar: with word "volatile"Search
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NCBI: Search
JECFA Food Flavoring: 1289  erythro- and threo-3-mercapto-2-methylbutan-1-ol
DG SANTE Food Flavourings: 12.291  3-mercapto-2-methyl-1-butanol
FEMA Number: 3993 erythro- and threo-3-mercapto-2-methylbutan-1-ol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):227456-33-9 ; 3-MERCAPTO-2-METHYL-1-BUTANOL
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.00200 to 1.00800 @  25.00 °C.
Pounds per Gallon - (est).: 8.338 to  8.388
Refractive Index: 1.48200 to 1.49000 @  20.00 °C.
Boiling Point: 96.00 to  98.00 °C. @ 20.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.150000 mmHg @ 25.00 °C. (est)
Flash Point: 127.00 °F. TCC ( 52.78 °C. )
logP (o/w): 1.117 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1.088e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
 sulfurous  
Odor Description:
at 0.10 % in propylene glycol. 
sulfurous
 
 
Flavor Type: sulfurous
 
 sulfurous  onion  brothy  
Taste Description:
strong onion-like, brothy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
1-Butanol, 3-mercapto-2-methyl-
M&U International
3-Mercapto-2-methyl-1-butanol
Parchem
3-mercapto-2-methyl-1-butanol
Penta International
3-MERCAPTO-2-METHYL-1-BUTANOL
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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
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Safety in Use Information:
Category: flavoring agents
Recommendation for 3-mercapto-2-methyl-1-butanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 17 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 0.100001.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.100001.00000
confectionery froastings: --
egg products: --
fats / oils: 0.100000.50000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100002.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: 0.010000.10000
seasonings / flavors: --
snack foods: 0.100000.50000
soft candy: --
soups: 0.100001.00000
sugar substitutes: --
sweet sauces: --
 
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): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.010000.10000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.100001.00000
Meat and meat products, including poultry and game (08.0): 0.100002.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 0.100001.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
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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):
Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 74, Revision 1 (FGE.74Rev1): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 74, Revision 2 (FGE.74Rev2): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 74, Revision 4 (FGE.74Rev4): Consideration of aliphatic sulphides and thiols evaluated by JECFA (53rd and 61st meeting) structurally related to aliphatic and alicyclic mono-, di-, tri- and polysulphides with or without additional oxygenated functional groups from chemical group 20 evaluated by EFSA in FGE.08Rev5
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6430892
National Institute of Allergy and Infectious Diseases: Data
 2-methyl-3-sulfanylbutan-1-ol
Chemidplus: 0227456339
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References:
 2-methyl-3-sulfanylbutan-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6430892
Pubchem (sid): 125694175
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32373
FooDB: FDB009790
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
sulfurous
 ethyl methyl mercaptopropionateFL/FR
 
For Flavor
 
alliaceous
3-mercapto-2-pentanoneFL
sulfurous
 allyl sulfideFL
 ethyl methyl mercaptopropionateFL/FR
S-ethyl thioacetateFL
caramelized onion oleoresinFL
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 beer
Search  PMC Picture
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Synonyms:
 butan-1-ol, 3-mercapto-2-methyl-
1-butanol, 3-mercapto-2-methyl-
erythro- and threo-3-mercapto-2-methyl butan-1-ol
erythro- and threo-3-mercapto-2-methylbutan-1-ol
3-mercapto-2-methylbutanol
2-methyl-3-sulfanylbutan-1-ol
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