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General Material Information

Preferred name 4-mercapto-3-methyl-2-butanol
Trivial Name 3-methyl-4-sulfanyl-butan-2-ol
Short Description 2-butanol, 4-mercapto-3-methyl-
Formula C5 H12 O S
CAS Number 33959-27-2
FEMA Number 4698
Flavis Number 12.302
FDA UNII 39ZUV0K5ZO
xLogP3-AA 1.10 (est)
NMR Predictor External link
JECFA Food Flavoring 2084 4-mercapto-3-methyl-2-butanol
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 33959-27-2 ; 4-MERCAPTO-3-METHYL-2-BUTANOL
Synonyms
  • 2-butanol, 4-mercapto-3-methyl-
  • 4-mercapto-3-methylbutan-2-ol
  • 3-methyl-4-sulfanyl-2-butanol
  • 3-methyl-4-sulfanylbutan-2-ol
  • 4-thio-3-methyl-2-butanol

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Literature & References

3-methyl-4-sulfanyl-butan-2-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):13353282
Pubchem (sid):316964526
Publications by Leffingwell & Associates
Flavor Properties of FEMA GRAS List 25 flavor chemicals

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):Search
ChemSpider:View

Suppliers

Parchem

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 120.21484375
Specific gravity @ 25 °C
Pounds per Gallon 8.055 to 8.155
Vapor Pressure 0.15 mmHg @ 25 °C
Flash Point TCC Value 68.8 °C TCC
logP (o/w) 1.117 est
Solubility
alcohol Yes
water, 1.088e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, onion, savory, meaty, fruity
General comment At 0.10 % in propylene glycol. sulfurous onion savory meaty fruity

Safety Information

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

Safety in use information

Category:
flavoring agents
Recommendation for 4-mercapto-3-methyl-2-butanol usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 69 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: 25
Click here to view publication 25
average usual ppmaverage maximum ppm
baked goods: 0.200000.50000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.200000.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.200000.50000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.200000.50000
milk products: --
nut products: --
other grains: --
poultry: 0.200000.50000
processed fruits: --
processed vegetables: 0.200000.50000
reconstituted vegetables: --
seasonings / flavors: 0.200000.50000
snack foods: 0.200000.50000
soft candy: --
soups: 0.200000.50000
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): --
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.200000.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200000.50000
Confectionery (05.0): --
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): 0.400001.00000
Meat and meat products, including poultry and game (08.0): 0.400001.00000
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): 0.400001.00000
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): 0.400000.50000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --

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):

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
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EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13353282
National Institute of Allergy and Infectious Diseases:Data
3-methyl-4-sulfanyl-butan-2-ol
Chemidplus:0033959272