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

3-methyl-2-butane thiol
3-methyl-2-butanethiol

Supplier Sponsors

Name:3-methylbutane-2-thiol
CAS Number: 2084-18-6Picture of molecule3D/inchi
Other:110503-17-8
ECHA EINECS - REACH Pre-Reg:218-223-9
FDA UNII:JE3PR84J0B
Nikkaji Web:J95.392J
MDL:MFCD00039648
CoE Number:11510
XlogP3-AA:2.30 (est)
Molecular Weight:104.21564000
Formula:C5 H12 S
NMR Predictor:Predict (works with chrome or firefox)
Name:(2R)-3-methylbutane-2-thiol
CAS Number: 2084-18-6 (R)Picture of molecule3D/inchi
XlogP3-AA:2.30 (est)
Molecular Weight:104.21564000
Formula:C5 H12 S
NMR Predictor:Predict (works with chrome or firefox)
Name:(2S)-3-methylbutane-2-thiol
CAS Number: 2084-18-6 (S)Picture of molecule3D/inchi
XlogP3-AA:2.30 (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
JECFA Food Flavoring:517 3-methyl-2-butanethiol
FLAVIS Number:12.049 (Old)
DG SANTE Food Flavourings:12.049 3-methylbutane-2-thiol
FEMA Number:3304 3-methyl-2-butanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):2084-18-6 ; 3-METHYL-2-BUTANETHIOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84100 to 0.84500 @ 20.00 °C.
Pounds per Gallon - (est).: 7.006 to 7.039
Refractive Index:1.44300 to 1.44700 @ 20.00 °C.
Boiling Point: 117.00 to 118.00 °C. @ 760.00 mm Hg
Boiling Point: 103.00 to 104.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:36.735001 mmHg @ 25.00 °C. (est)
Flash Point: 60.00 °F. TCC ( 15.56 °C. )
logP (o/w): 2.658 (est)
Soluble in:
 alcohol
 ether
 water, 692.3 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
beefy meaty
Odor Description:at 0.10 % in propylene glycol. repulsive beefy meaty
sulfurous savory burnt rubbery roasted chicken pork meaty coffee roasted coffee cheesy
Odor Description:at 0.10 %. sulfurous, savory burnt rubber, roasted chicken and pork meaty with nuances of roasted coffee, cultured cheeses and roasted cashew nuts.
Mosciano, Gerard, (2009)
Flavor Type: sulfurous
sulfurous savory fried meaty fried fatty coffee cooked onion
Taste Description: at 0.50 ppm. sulfurous, savory fried meaty, fried fatty with coffee and cooked onion nuances with a slight tongue bite
Mosciano, Gerard, (2009)
Odor and/or flavor descriptions from others (if found).
R C Treatt & Co Ltd
3-Methyl-2-butanethiol Halal, Kosher
Odor Description:meaty
Taste Description:meaty
Used in bakery cereal milk products and soups at 0.8ppm, and oils and fats at 0.05ppm.
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Methyl-2-butanethiol
BOC Sciences
For experimental / research use only.
3-Methyl-2-butane Thiol
DeLong Chemicals America
3-Methyl-2-butanethiol, Kosher
Endeavour Specialty Chemicals
3-Methyl-2-butanethiol 99% F&F
Speciality Chemical Product Groups
M&U International
3-METHYL-2-BUTANETHIOL, Kosher
Penta International
3-METHYL-2-BUTANETHIOL 1% IN D-LIMONENE
Penta International
3-METHYL-2-BUTANETHIOL
R C Treatt & Co Ltd
3-Methyl-2-Butanethiol 96%
Kosher
R C Treatt & Co Ltd
3-Methyl-2-butanethiol
Halal, Kosher
Odor: meaty
Flavor: meaty
Used in bakery cereal milk products and soups at 0.8ppm, and oils and fats at 0.05ppm.
Robinson Brothers
3-Methyl-2-butanethiol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Shijiazhuang Donglian Nankai Aroma Chemicals
3-Methyl-2-butanethiol
Odor: Mercaptan-like, roast beef, fatty
Sigma-Aldrich
3-Methyl-2-butanethiol, ≥98%
Certified Food Grade Products
Synerzine
3-Methyl-2-butanethiol
Taytonn
3-Methyl-2-butanethiol
Odor: Meaty, Powerful
TCI AMERICA
For experimental / research use only.
3-Methyl-2-butanethiol >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
3-Methyl-2-butane Thiol
Tianjin Danjun International
3-Methyl-2-butanethiol
WholeChem
3-Methyl-2-butanethiol
Wujiang CIYUN Flavor & Fragrance
3-Methyl-2-butanethiol ≥98.0%
 
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 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
 
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:
gavage-rat LD50 [sex: M,F] 540 mg/kg
(Harper & Ginn, 1964)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-methyl-2-butane thiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: -1.20000
beverages(nonalcoholic): -1.20000
beverages(alcoholic): --
breakfast cereal: -1.20000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.20000
hard candy: -1.20000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.20000
milk products: -1.20000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.20000
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):2084-18-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :519823
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
3-methylbutane-2-thiol
Chemidplus:0002084186
(2R)-3-methylbutane-2-thiol
(2S)-3-methylbutane-2-thiol
 
References:
 3-methylbutane-2-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2084-18-6
Pubchem (cid):519823
Pubchem (sid):203819
 (2R)-3-methylbutane-2-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2084-18-6
Pubchem (cid):7364125
Pubchem (sid):44306854
 (2S)-3-methylbutane-2-thiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2084-18-6
Pubchem (cid):7364127
Pubchem (sid):44306856
 
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):HMDB36180
FooDB:FDB015034
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3-Methyl-2-butanethiol
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
2,5-
dimethyl pyrazine
FL/FR
coffee
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
meaty
sulfurol
FL/FR
sulfuryl acetate
FL/FR
nutty
2,4,5-
trimethyl oxazole
FL/FR
sulfurous
fish thiol
FL/FR
furfuryl thioacetate
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
acetaldehyde diethyl mercaptal
FL
benzyl methyl sulfide
FL
ethyl 4-(acetyl thio) butyrate
FL
4-
mercapto-3-methyl-2-butanol
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
1,9-
nonane dithiol
FL
3,5-
dimethyl-1,2,4-trithiolane
FL
2,4-
dimethyl-3-oxazoline
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
dimethyl trisulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
burnt
2,4,5-
trimethyl oxazole
FL/FR
chemical
2,5-
dimethyl furan
FL
coffee
2,4-
dimethyl thiazole
FL
methyl furfuryl mercaptopropionate
FL
earthy
1,8-
octane dithiol
FL
garlic
garlic oleoresin
FL
meaty
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
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
metallic
2,5-
dihydroxy-1,4-dithiane
FL
musty
2,5-
dimethyl pyrazine
FL/FR
nutty
2,6-
dimethyl pyrazine
FL/FR
onion
furfuryl isopropyl sulfide
FL
roasted
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
sulfurous
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl thiomethyl butyrate
FL
 
Potential Uses:
FLbakery
FLbeef
FLcereal
FLcoffee
FLfat
 milk products
 oils
FLsavory
FLsoup
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 
Synonyms:
2-butanethiol, 3-methyl-
2-mercapto-3-methylbutane
3-methyl butane-2-thiol
3-methyl-2-butanethiol
3-methyl-2-butanethiol natural 1% in ethyl alcohol
3-methyl-2-butylmercaptan
3-methylbutane-2-thiol
 
 
Notes:
Flavour enhancer for meat products. Present in cooked beef. Formed from thermal degradation of 4-Hydroxy-2,5-dimethyl-3(2H)-furanone FWS46-C in the presence of a sulfur source
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy