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

S-tropical 2-thiobutyrate
S-methyl 2-methylbutanethioate

Sponsors

Flavor Demo Formulas
Name:S-methyl 2-methylbutanethioate
CAS Number: 42075-45-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:255-648-9
FDA UNII:251520LC0C
Nikkaji Web:J278.323A
XlogP3-AA:2.10 (est)
Molecular Weight:132.22584000
Formula:C6 H12 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:486 S-methyl 2-methylbutanethioate
FLAVIS Number:12.086 (Old)
FEMA Number:3708 S-methyl 2-methylbutanethioate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: METHYL 2-METHYLTHIOBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 153.00 to 158.00 °C. @ 760.00 mm Hg
Vapor Pressure:2.672000 mm/Hg @ 25.00 °C. (est)
Vapor Density:4.6 ( Air = 1 )
Flash Point: 109.00 °F. TCC ( 42.78 °C. )
logP (o/w): 2.232 (est)
Soluble in:
 alcohol
 fats
 water, 3701 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 sweet cabbage tropical fruity
Odor Description:at 0.10 % in propylene glycol. sulfury sweet cabbage tropical brussel sprouts fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
S-Methyl 2-methylthiobutyrate
Charkit Chemical
METHYL (2-METHYL) THIOBUTYRATE M1825 FEMA 3708
Endeavour Specialty Chemicals
S-Methyl 2-methylthiobutyrate 99% F&F
Speciality Chemical Product Groups
Penta International
METHY-2-METHYL THIOBUTYRATE, Kosher
Robinson Brothers
S-Methyl 2-methylthiobutyrate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Taytonn
Methyl (2-Methyl)Thiobutyrate
Odor: Cheese, Fruity, Sweet, Vegetable
Treatt
S-Methyl 2-(methyl)thiobutyrate
Kosher
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - 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 37/39 - Wear suitable 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: flavor and fragrance agents
Recommendation for S-tropical 2-thiobutyrate usage levels up to:
  0.1000 % in the fragrance concentrate.
 
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: 13
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): -0.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -0.30000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.30000
fruit ices: --
gelatins / puddings: -0.50000
granulated sugar: --
gravies: --
hard candy: -0.50000
imitation dairy: -0.30000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -0.30000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :65285
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
S-methyl 2-methylbutanethioate
Chemidplus:0042075456
 
References:
Leffingwell:Chirality or Article
 S-methyl 2-methylbutanethioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:42075-45-6
Pubchem (cid):65285
Pubchem (sid):135021581
 
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):Search
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:S-Methyl 2-methylbutanethioate
 
Potential Blenders and core components note
For Odor
alliaceous
propyl mercaptan
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
coffee
coffee difuran
FL/FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
floral
acetal 318
FR
para-
anisyl butyrate
FL/FR
blue lagoon fragrance
FR
cassis specialty
FR
black
currant bud concrete
FL/FR
ethyl linalyl acetate
FR
iso
eugenyl ethyl acetal
FR
alpha-
ionone
FL/FR
phenethyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
styralyl isobutyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
neo
caspirene
FL/FR
heptyl butyrate
FL/FR
kiwi specialty
FR
lychee fragrance
FR
methyl cyclohexyl acetate
FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum specialty
FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl hexanoate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
viridiflorol
FL/FR
sulfurous
buchu mercaptan
FL/FR
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
lychee mercaptan acetate
FL/FR
methyl mercaptan
FL/FR
passiflora acetate
FL/FR
4-
tropical oxathiane
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
passion fruit fragrance
FR
pina colada fragrance
FR
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
neo
caspirene
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
ethyl 2-(methyl thio) acetate
FL
mercaptoacetaldehyde
FL
methyl 2-(methyl thio) acetate
FL
4-(
methyl thio) butanol
FL
S-(
methyl thio) hexanoate
FL
2-(
methyl thio) methyl-2-butenal
FL
4-
methyl thiobutyl isothiocyanate
FL
5-
methyl thiopentyl isothiocyanate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
2-
methyl-5-methoxythiazole
FL
3-
nonen-4-olide
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
iso
propyl disulfide
FL
propyl mercaptan
FL/FR
sorbyl propionate
FL
styralyl isobutyrate
FL/FR
tetrahydrothiophene
FL
viridiflorol
FL/FR
allyl thiohexanoate
FL
anisic
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
coffee
coffee difuran
FL/FR
creamy
triacetin
FL
fermented
methyl thio isovalerate
FL
floral
alpha-
ionone
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
black
currant bud concrete
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl hexanoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methionyl butyrate
FL
passion fruit distillates
FL
iso
propyl formate
FL/FR
rose butanoate
FL/FR
4-
tropical oxathiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
cis-
galbanum oxathiane
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
pyrazinyl ethane thiol
FL
musty
S-(
methyl thio) butyrate
FL/FR
sulfurous
buchu mercaptan
FL/FR
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl sulfide
FL
methyl 2-(methyl thio) butyrate
FL
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl mercaptan
FL/FR
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
anacardium occidentale fruit puree
FL
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
vegetable
2-
octen-4-one
FL/FR
 
Potential Uses:
FLcheese
FLcoffee
FLcurrant black currant
FLdairy
 fruit tropical fruit
FLlychee
FLmango
FRpassion fruit
FLpineapple
 shellfish
FLstrawberry
FLviolet
 
Occurrence (nature, food, other):note
 cantaloupe fruit
Search Trop Picture
 honeydew melon
Search Trop Picture
 
Synonyms:
 butanethioic acid, 2-methyl-, S-methyl ester
S-methy-2-methyl thiobutyrate
S-methyl (2-methyl)thiobutyrate
S-methyl 2-(methyl thio) butyrate
S-methyl 2-(methylthio) butyrate
S-methyl 2-methyl (thiobutyrate)
S-methyl 2-methyl butane thioate
S-methyl 2-methyl butanethioate
S-methyl 2-methyl(thiobutyrate)
S-methyl 2-methylbutanethioate
S-methyl 2-methylthiobutyrate
2-methyl butane thioic acid S-methyl ester
2-methyl butanethioic acid S-methyl ester
S-methyl thio 2-methyl butyrate
2-methyl-1-methyl sulfanyl butan-1-one
S-methyl-2-methyl thiobutyrate
S-methylthio 2-methyl butyrate
S-methylthio 2-methylbutyrate
S-methylthiol 2-methylbutyrate
 

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