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

2-methyl-1-butane thiol
2-methylbutyl mercaptan

Supplier Sponsors

Name:2-methylbutane-1-thiol
CAS Number: 1878-18-8Picture of molecule3D/inchi
Other:110549-12-7
ECHA EINECS - REACH Pre-Reg:217-515-3
FDA UNII:8ZRO873BR6
Nikkaji Web:J44.080I
MDL:MFCD00004883
CoE Number:11509
XlogP3-AA:2.20 (est)
Molecular Weight:104.21564000
Formula:C5 H12 S
NMR Predictor:Predict (works with chrome or firefox)
Name:(2R)-2-methylbutane-1-thiol
CAS Number: 1878-18-8 (R)Picture of molecule3D/inchi
XlogP3-AA:2.20 (est)
Molecular Weight:104.21564000
Formula:C5 H12 S
NMR Predictor:Predict (works with chrome or firefox)
Name:(2S)-2-methylbutane-1-thiol
CAS Number: 1878-18-8 (S)Picture of molecule3D/inchi
XlogP3-AA:2.20 (est)
Molecular Weight:104.21564000
Formula:C5 H12 S
NMR Predictor:Predict (works with chrome or firefox)
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:515 2-methyl-1-butanethiol
FLAVIS Number:12.048 (Old)
DG SANTE Food Flavourings:12.048 2-methylbutane-1-thiol
FEMA Number:3303 2-methyl-1-butanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1878-18-8 ; 2-METHYL-1-BUTANETHIOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84600 to 0.84900 @ 20.00 °C.
Pounds per Gallon - (est).: 7.048 to 7.073
Refractive Index:1.44500 to 1.44800 @ 20.00 °C.
Boiling Point: 116.00 to 118.00 °C. @ 760.00 mm Hg
Vapor Pressure:23.239000 mmHg @ 25.00 °C. (est)
Flash Point: 67.00 °F. TCC ( 19.44 °C. )
logP (o/w): 2.814 (est)
Soluble in:
 alcohol
 water, 599.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous meaty bloody
Odor Description:at 0.10 % in propylene glycol. sulfurous meaty bloody
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2-Methyl-1-butanethiol
DeLong Chemicals America
2-Methylbutanethiol, Kosher
Endeavour Specialty Chemicals
2-Methyl-1-butanethiol 95% F&F
Speciality Chemical Product Groups
M&U International
2-METHYL-1-BUTANETHIOL, Kosher
Penta International
2-METHYL-1-BUTANETHIOL
R C Treatt & Co Ltd
2-Methyl-1-butanethiol
Halal, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
2-Methyl-1-butanethiol
Sigma-Aldrich
2-Methyl-1-butanethiol, ≥95%, FG
Certified Food Grade Products
Synerzine
2-Methyl-1-butanethiol
TCI AMERICA
For experimental / research use only.
2-Methyl-1-butanethiol >95.0%(GC)
WholeChem
2-Methyl-1-butanethiol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 03/07/09 - Keep container tightly closed in cool, well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-methyl-1-butane thiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.30 (μg/capita/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: 5
 average usual ppmaverage maximum ppm
baked goods: -0.80000
beverages(nonalcoholic): -0.80000
beverages(alcoholic): --
breakfast cereal: -0.80000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.80000
hard candy: -0.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.80000
milk products: -0.80000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.80000
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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): 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 8, Revision 3 (FGE.08Rev3): 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 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

EPI System: View
EPA Substance Registry Services (TSCA):1878-18-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15877
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1111
WGK Germany:3
2-methylbutane-1-thiol
Chemidplus:0001878188
(2R)-2-methylbutane-1-thiol
(2S)-2-methylbutane-1-thiol
 
References:
 2-methylbutane-1-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1878-18-8
Pubchem (cid):15877
Pubchem (sid):134979066
 (2R)-2-methylbutane-1-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1878-18-8
Pubchem (cid):7058091
Pubchem (sid):43647338
 (2S)-2-methylbutane-1-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1878-18-8
Pubchem (cid):7058092
Pubchem (sid):43647339
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB35418
FooDB:FDB014096
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Methyl-1-butanethiol
 
Potential Blenders and core components note
For Odor
chocolate
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
meaty
sulfurol
FL/FR
sulfuryl acetate
FL/FR
nutty
2,4,5-
trimethyl oxazole
FL/FR
sulfurous
ethyl 2-mercaptopropionate
FL/FR
fish thiol
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
ethyl 4-(acetyl thio) butyrate
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
1,9-
nonane dithiol
FL
iso
propyl disulfide
FL
2,4-
dimethyl-3-oxazoline
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
burnt
2,4,5-
trimethyl oxazole
FL/FR
chemical
2,5-
dimethyl furan
FL
coffee
2,4-
dimethyl thiazole
FL
earthy
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
2-
pentyl thiophene
FL
meaty
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
furfuryl 2-methyl-3-furyl disulfide
FL
3-
mercapto-2-butanone
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-
methyl-3-tetrahydrofuran thiol
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
ortho-
thiocresol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
musty
2,5-
dimethyl pyrazine
FL/FR
nutty
2,6-
dimethyl pyrazine
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
roasted
hexyl mercaptan
FL
sulfurous
2,3-
butane dithiol
FL
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
 
Potential Uses:
FLbeef
FLmeat
FLpork
 
Occurrence (nature, food, other):note
 beef boiled beef
Search PMC Picture
 
Synonyms:
 butane-1-thiol, 2-methyl-
1-butanethiol, 2-methyl-
1-mercapto-2-methylbutane
2-methyl butane thiol
2-methyl butane-1-thiol
2-methyl butanethiol
2-methyl butyl mercaptan
2-methyl-1-butanethiol
2-methylbutane-1-thiol
2-methylbutanethiol
2-methylbutyl mercaptan
 
 
Notes:
Used as a food additive [EAFUS]
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