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methyl thiomethyl butyrate
methylthiomethyl butyrate

Sponsors

Name:methylsulfanylmethyl butanoate
CAS Number: 74758-93-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:277-989-2
FDA UNII:9PF86RKU3Z
Nikkaji Web:J349.458F
CoE Number:12187
XlogP3-AA:1.70 (est)
Molecular Weight:148.22504000
Formula:C6 H12 O2 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:473 methylthiomethyl butyrate
FLAVIS Number:12.187 (Old)
DG SANTE Food Flavourings:12.187 methylthiomethyl butyrate
FEMA Number:3879 methylthiomethyl butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: METHYLTHIOMETHYL BUTYRATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94300 to 0.94800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.847 to 7.888
Refractive Index:1.45400 to 1.46400 @ 20.00 °C.
Boiling Point: 182.00 to 183.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.818000 mm/Hg @ 25.00 °C. (est)
Flash Point: 155.00 °F. TCC ( 68.33 °C. )
logP (o/w): 1.885 (est)
Soluble in:
 alcohol
 oils
 water, very slightly
 water, 4534 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 musty onion fruity tropical metallic vegetable
Odor Description:at 0.10 % in propylene glycol. sulfurous musty onion fruity tropical metallic vegetable
sulfurous musty onion savory fruity tropical vegetable
Odor Description:Sulfureous, musty, onion, savory, fruity and tropical with vegetative nuances
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
Flavor Type: sulfurous
sulfurous savory eggy vegetable onion fruity tropical
Taste Description: at 2.00 ppm. Sulfureous, savory, eggy, vegetative and onion with fruity, tropical nuances
Mosciano, Gerard P&F 20, No. 5, 49, (1995)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methylthiomethyl Butyrate 95%
DeLong Chemicals America
Methylthiomethyl butyrate, Kosher
Penta International
METHYLTHIOMETHYL BUTYRATE, Kosher
Treatt
Methylthiomethyl butyrate
NI, Kosher
Odor: Metallic, tropical fruit
Flavor: tropical
Used at 2ppm, in exotic fruit and dairy flavours. Very slightly soluble in water. Soluble in alcohols and oils.
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for methyl thiomethyl butyrate 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: 1.0000010.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 1.000002.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.0000010.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.500005.00000
reconstituted vegetables: --
seasonings / flavors: 500.00000500.00000
snack foods: --
soft candy: --
soups: 1.0000010.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3018539
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methylsulfanylmethyl butanoate
Chemidplus:0074758933
 
References:
 methylsulfanylmethyl butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3018539
Pubchem (sid):135249569
 
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):HMDB38299
FooDB:FDB017628
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Methylthiomethyl butyrate
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
dibutyl sulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
strawberry furanone acetate
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
ethereal
iso
propyl formate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
floral
para-
anisyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
citronellyl acetate
FL/FR
black
currant bud concrete
FL/FR
geranyl propionate
FL/FR
alpha-
ionone
FL/FR
beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
styralyl isobutyrate
FL/FR
fruity
allyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
allyl propionate
FL/FR
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
neo
caspirene
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-hexenoate
FL/FR
heptyl butyrate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl nonanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl hexanoate
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
terpinyl propionate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
jambu oleoresin
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
viridiflorol
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
grapefruit menthane
FL/FR
lychee mercaptan acetate
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
genet absolute
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hotrienol
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
ethyl nonanoate
FL/FR
nonyl acetate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
neo
caspirene
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
ethyl 2-(methyl thio) acetate
FL
ethyl 3-octenoate
FL
methyl 2-(methyl thio) acetate
FL
S-(
methyl thio) hexanoate
FL
2-
methyl-1-butanol
FL/FR
2-
methyl-2-thiazoline
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
nonen-4-olide
FL/FR
1-
phenethyl mercaptan
FL
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
sorbyl propionate
FL
styralyl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
alliaceous
allyl propionate
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
2-
methyl thioacetaldehyde
FL
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
cooling
jambu oleoresin
FL/FR
creamy
triacetin
FL
ethereal
4-
hexen-3-one
FL
fatty
allyl octanoate
FL/FR
floral
citronellyl acetate
FL/FR
hotrienol
FL/FR
alpha-
ionone
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl isobutyrate
FL/FR
berry pentadienoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
black
currant bud concrete
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-hexenoate
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl hexanoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl valerate
FL/FR
passion fruit distillates
FL
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
4-
tropical oxathiane
FL/FR
tropical trithiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
dibutyl sulfide
FL/FR
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
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
terpinyl propionate
FL/FR
hay
genet absolute
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
pyrazinyl ethane thiol
FL
musty
S-(
methyl thio) butyrate
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
oily
tetrahydrofurfuryl propionate
FL
sulfurous
buchu mercaptan
FL/FR
S-
ethyl thioacetate
FL
grapefruit menthane
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
3-
methyl-2-butane thiol
FL
tropical 3-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
anacardium occidentale fruit puree
FL
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
2-
octen-4-one
FL/FR
waxy
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
nonyl acetate
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FLdairy
 fruit tropical fruit
FLgarlic
FLmango
FLonion
 papaya
FLpineapple
FLtropical
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 butanoic acid, (methylthio)methyl ester
 methyl 2-methyl thiobutyrate
(methyl thio) methyl butyrate
((methyl thio)methyl) butyrate
(methyl thiomethyl) butyrate
(methylsulfanyl)methyl butyrate
 methylsulfanylmethyl butanoate
(methylthio)methyl butyrate
((methylthio)methyl)butyrate
(methylthio)methylbutyrate
 methylthiomethyl butyrate
(methylthiomethyl)butyrate
 

Articles:

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Notes:
Flavouring agent esp. for seasonings
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