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

isoamyl mercaptan
3-methylbutanethiol

Supplier Sponsors

Name:3-methylbutane-1-thiol
CAS Number: 541-31-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-774-3
FDA UNII:MMK4SUN45E
Nikkaji Web:J8.667C
Beilstein Number:1731178
MDL:MFCD00004899
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:513 3-methylbutanethiol
FLAVIS Number:12.171 (Old)
DG SANTE Food Flavourings:12.171 3-methylbutane-1-thiol
FEMA Number:3858 3-methylbutanethiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-METHYLBUTANETHIOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83100 to 0.83800 @ 25.00 °C.
Pounds per Gallon - (est).: 6.915 to 6.973
Refractive Index:1.44300 to 1.44600 @ 20.00 °C.
Boiling Point: 119.00 to 120.00 °C. @ 760.00 mm Hg
Vapor Pressure:23.200000 mm/Hg @ 25.00 °C.
Flash Point: 65.00 °F. TCC ( 18.33 °C. )
logP (o/w): 2.670
Soluble in:
 alcohol
 oils
 water, 599.2 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl mercaptan
amyl mercaptan
sec-amyl mercaptan
tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
butyl mercaptan
isobutyl mercaptan
tert-butyl mercaptan
cetyl mercaptan
cyclohexyl mercaptan
cyclopentyl mercaptan
decyl mercaptan
dodecyl mercaptan
2-ethyl hexyl mercaptan
ethyl mercaptan
ethylene mercaptan
furfuryl mercaptan
grapefruit mercaptan
heptyl mercaptan
hexyl mercaptan
methyl mercaptan
2-naphthyl mercaptan
nonyl mercaptan
octyl mercaptan
peach mercaptan
1-phenethyl mercaptan
2-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous onion onion green onion garlic
Odor Description:at 0.10 % in propylene glycol. sulfurous onion green onion garlic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
3-Methyl-1-butanethiol
Carbosynth
For experimental / research use only.
3-Methyl-1-butanethiol
DeLong Chemicals America
3-Methylbutanethiol, Kosher
Endeavour Specialty Chemicals
3-Methyl-1-butanethiol 97% F&F
Speciality Chemical Product Groups
M&U International
3-METHYL-1-BUTANETHIOL, Kosher
Penta International
3-METHYL-1-BUTANETHIOL, Kosher
R C Treatt & Co Ltd
3-Methylbutanethiol
Robinson Brothers
3-Methyl-1-butanethiol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-1-butanethiol
Shijiazhuang Donglian Nankai Aroma Chemicals
3-Methyl-1-butanethiol
Odor: Mercaptan odor, with the smell of green onion and garlic after dilution
Sigma-Aldrich
3-Methyl-1-butanethiol, ≥97%
Certified Food Grade Products
Synerzine
3-Methyl-1-butanethiol
TCI AMERICA
For experimental / research use only.
isoAmyl Mercaptan >94.0%(T)
WholeChem
3-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 02 - Keep out of the reach of children.
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 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 isoamyl mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (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: 18
 average usual ppmaverage maximum ppm
baked goods: 0.100005.00000
beverages(nonalcoholic): 0.100005.00000
beverages(alcoholic): --
breakfast cereal: 0.100005.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100005.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100005.00000
milk products: 0.100005.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.200002.00000
snack foods: --
soft candy: 0.100005.00000
soups: 0.100005.00000
sugar substitutes: --
sweet sauces: 0.100005.00000
 
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

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
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):541-31-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10925
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1228
WGK Germany:3
3-methylbutane-1-thiol
Chemidplus:0000541311
 
References:
 3-methylbutane-1-thiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10925
Pubchem (sid):134975936
 
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):HMDB33902
FooDB:FDB012097
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:3-Methylbutanethiol
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
methyl furfuryl disulfide
FL/FR
propyl mercaptan
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
meaty
meaty dithiane
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
3-(
methyl thio) hexanol
FL/FR
2-(
methyl thio) phenol
FL/FR
onion oil
FL/FR
onion oil CO2 extract
FL/FR
onion oil dutch
FL/FR
onion oil egypt
FL/FR
onion oil mexico
FL/FR
4-
tropical oxathiane
FL/FR
tropical
trans-
galbanum oxathiane
FL/FR
cis-
galbanum oxathiane
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
diethyl trisulfide
FL
diisoamyl disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl 3-(methyl thio)-(E)-2-propenoate
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
trans-
galbanum oxathiane
FL/FR
2-
heptane thiol
FL
heptyl mercaptan
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
3-
mercaptohexanal
FL
bis(1-
mercaptopropyl) sulfide
FL
methyl butyl sulfide
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butanol
FL/FR
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
prenyl mercaptan
FL
propenyl propyl disulfide
FL
iso
propyl disulfide
FL
2,3,5-
trithiahexane
FL
alliaceous
alliaceous
allium porrum extract
FL
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
diethyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
leek oil
FL
3-
mercapto-2-methyl pentanol
FL
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
propyl mercaptan
FL/FR
shallot oil
FL
cabbage
methyl 2-thiofuroate
FL
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fruity
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
cis-
galbanum oxathiane
FL/FR
meaty
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl thiomethyl butyrate
FL
2-
methyl thiophene
FL
onion oil
FL/FR
onion oil CO2 extract
FL/FR
onion oil dutch
FL/FR
onion oil egypt
FL/FR
onion oil mexico
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FLonion
 
Occurrence (nature, food, other):note
 beer
Search PMC Picture
 coffee
Search PMC Picture
 potato
Search Trop Picture
 skunk
Search PMC Picture
 
Synonyms:
isoamylthiol
 butane-1-thiol, 3-methyl-
1-butanethiol, 3-methyl-
3-methyl butane thiol
3-methyl butane-1-thiol
3-methyl butanethiol
3-methyl butyl mercaptan
3-methyl-1-butane thiol
3-methyl-1-butanethiol
3-methyl-butane-1-thiol
3-methylbutane-1-thiol
3-methylbutanethiol
3-methylbutyl mercaptan
 
 
Notes:
Found in beer. Flavouring agent
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