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

(methyl thio) methyl hexanoate
methylthiomethyl hexanoate

Supplier Sponsors

Name:methylsulfanylmethyl hexanoate
CAS Number: 74758-91-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:277-988-7
FDA UNII:2VJ58GF47Z
Nikkaji Web:J349.457H
CoE Number:12199
XlogP3-AA:2.80 (est)
Molecular Weight:176.27892000
Formula:C8 H16 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:479 methylthiomethyl hexanoate
FLAVIS Number:12.188 (Old)
DG SANTE Food Flavourings:12.188 methylthiomethyl hexanoate
FEMA Number:3880 methylthiomethyl hexanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: METHYLTHIOMETHYL HEXANOATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89000 to 0.89500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.406 to 7.447
Boiling Point: 223.00 to 224.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.094000 mm/Hg @ 25.00 °C. (est)
Flash Point: 191.00 °F. TCC ( 88.33 °C. )
logP (o/w): 2.674 (est)
Soluble in:
 alcohol
 oil
 water, very slightly
 water, 488.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Description:Use adds a creamy cheesy note to dairy flavors at 0.5ppm.pineapple
Flavor Type: fruity
pineapple fruity
Taste Description: pineapple fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methylthiomethyl Hexanoate
Endeavour Specialty Chemicals
Methylthiomethyl hexanoate 99% F&F
Speciality Chemical Product Groups
Parchem
(methyl thio) methyl hexanoate
Penta International
METHYLTHIOMETHYL HEXANOATE, Kosher
R C Treatt & Co Ltd
Methyl thiomethyl hexanoate
Kosher
Odor: pineapple, fruity
Flavor: creamy
Use adds a creamy cheesy note to dairy flavors at 0.5ppm.
Robinson Brothers
Methylthiomethyl hexanoate F&F
https://www.robinsonbrothers.uk/chemistry-competences
 
Safety Information:
 
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 thio) methyl hexanoate 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: 300.00000300.00000
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 Substance Registry Services (TSCA):74758-91-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :173312
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methylsulfanylmethyl hexanoate
Chemidplus:0074758911
 
References:
 methylsulfanylmethyl hexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):173312
Pubchem (sid):135192763
 
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):HMDB38300
FooDB:FDB017629
ChemSpider:View
FAO:Methylthiomethyl hexanoate
 
Potential Blenders and core components note
For Odor
amber
ambroxan
FL/FR
balsamic
abies alba needle oil
FL/FR
iso
bornyl acetate
FL/FR
verbenol
FL/FR
camphoreous
fenchol
FL/FR
cheesy
heptanoic acid
FL/FR
chemical
propyl propionate
FL/FR
earthy
(-)-alpha-
fenchol
FL/FR
ethereal
propyl valerate
FL/FR
fatty
allyl decanoate
FL/FR
allyl octanoate
FL/FR
methyl 10-undecenoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
geranyl valerate
FL/FR
phenethyl isovalerate
FL/FR
fruity
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
amyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
amyl propionate
FL/FR
benzyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
diethyl malonate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl lactate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
ethyl valerate
FL/FR
heptyl isobutyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
3-
phenyl propyl hexanoate
FL/FR
pineapple essence
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
iso
propyl hexanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical dienoate
FL/FR
green
cognac heptanone
FL/FR
ethyl (E)-4-decenoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
4-
hexenol
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
herbal
dehydroxylinalool oxide
FL/FR
hyssop oil
FL/FR
alpha-
pinene
FL/FR
beta-
pinene
FL/FR
pinocarveol
FL/FR
theaspirane
FL/FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
spicy
(E)-
cinnamyl isovalerate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
4-
tropical oxathiane
FL/FR
terpenic
pine needle oil dwarf
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
tropical 3-thiobutyrate
FL/FR
waxy
ethyl octanoate
FL/FR
woody
iso
bornyl isovalerate
FL/FR
(+)-
camphene
FL/FR
alpha-
terpinene
FL/FR
vetiver oil haiti
FL/FR
For Flavor
No flavor group found for these
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl valerate
FL
amyl propionate
FL/FR
(+)-
camphene
FL/FR
9-
decen-2-one
FL
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl cyclohexyl carboxylate
FL
geranyl valerate
FL/FR
methyl 2-hexenoate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl valerate
FL/FR
sorbyl propionate
FL
berry
berry
heptyl isobutyrate
FL/FR
camphoreous
fenchol
FL/FR
(-)-alpha-
fenchol
FL/FR
pinocarveol
FL/FR
citrus
cognac heptanone
FL/FR
cooling
theaspirane
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
fruity
acai pineapple flavor
FL
acetyl isovaleryl
FL
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl decanoate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
amyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherimoya flavor
FL
cinnamyl isobutyrate
FL/FR
(E)-
cinnamyl isovalerate
FL/FR
diethyl malonate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl lactate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
ethyl valerate
FL/FR
furfuryl valerate
FL
guava pineapple flavor
FL
guava pineapple mango flavor
FL
mango passion fruit pineapple flavor
FL
mango peach pineapple flavor
FL
methionyl butyrate
FL
methyl 2-methyl valerate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl allyl butyrate
FL
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
(Z)-5-
octen-1-yl acetate
FL
orange pineapple banana flavor
FL
orange pineapple passion fruit flavor
FL
phenethyl isovalerate
FL/FR
3-
phenyl propyl hexanoate
FL/FR
pineapple distillates
FL
pineapple enhancer
FL
pineapple essence
FL/FR
pineapple flavor
FL
sour
pineapple flavor
FL
pineapple hydroxyhexanoate
FL/FR
pineapple juice concentrate
FL
pineapple juice flavor
FL
pineapple orange banana flavor
FL
pineapple orange guava flavor
FL
pineapple orange strawberry flavor
FL
pineapple pentenoate
FL/FR
pineapple strawberry banana flavor
FL
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
salacca zalacca fruit
FL
snake fruit flavor
FL
tetrahydrofurfuryl butyrate
FL/FR
tropical dienoate
FL/FR
4-
tropical oxathiane
FL/FR
green
cis-
galbanum oxathiane
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
herbal
hyssop oil
FL/FR
verbenol
FL/FR
metallic
4-
hexenol
FL/FR
minty
(1R)-(-)-
myrtenal
FL
pine
pine needle oil dwarf
FL/FR
beta-
pinene
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
grapefruit menthane
FL/FR
tropical 3-thiobutyrate
FL/FR
terpenic
abies alba needle oil
FL/FR
alpha-
terpinene
FL/FR
tropical
orange mango pineapple flavor
FL
pina colada flavor
FL
propyl propionate
FL/FR
waxy
ethyl octanoate
FL/FR
heptanoic acid
FL/FR
methyl 10-undecenoate
FL/FR
propyl heptanoate
FL/FR
woody
ambroxan
FL/FR
iso
bornyl acetate
FL/FR
iso
bornyl isovalerate
FL/FR
dehydroxylinalool oxide
FL/FR
alpha-
pinene
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
FLcheese
 cream
FLdairy
 fruit tropical fruit
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 hexanoic acid (methyl thio) methyl ester
 hexanoic acid, (methylthio)methyl ester
((methyl thio)methyl) hexanoate
 methyl thiomethyl hexanoate
(methyl thiomethyl) hexanoate
(methylsulfanyl)methyl hexanoate
 methylsulfanylmethyl hexanoate
(methylthio)methyl hexanoate
((methylthio)methyl)hexanoate
(methylthio)methylhexanoate
 methylthiomethyl hexanoate
(methylthiomethyl)hexanoate
 

Articles:

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Notes:
Flavouring agent for baked goods, seasonings etc
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