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

S-(methyl thio) hexanoate
S-methyl hexanethioate

Supplier Sponsors

Name:S-methyl hexanethioate
CAS Number: 2432-77-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-410-8
FDA UNII:MC7G128ACI
Nikkaji Web:J125.770F
MDL:MFCD03426527
XlogP3-AA:2.60 (est)
Molecular Weight:146.25278000
Formula:C7 H14 O 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
FEMA Number:3862 S-methyl hexanethioate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: S-METHYL HEXANETHIOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93500 to 0.94500 @ 20.00 °C.
Pounds per Gallon - (est).: 7.789 to 7.873
Refractive Index:1.45800 to 1.46800 @ 20.00 °C.
Boiling Point: 120.00 to 122.00 °C. @ 0.00 mm Hg
Boiling Point: 187.00 to 188.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.638000 mm/Hg @ 25.00 °C. (est)
Flash Point: 125.00 °F. TCC ( 51.67 °C. )
logP (o/w): 2.897 (est)
Soluble in:
 alcohol
 water, 1066 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
fruity ethereal green tropical cabbage cheesy rancid floral green
Odor Description:at 0.10 % in dipropylene glycol. fruity ethereal green tropical cabbage cheesy rancid floral green
Odor and/or flavor descriptions from others (if found).
R C Treatt & Co Ltd
S-Methyl hexanethioate Halal, Kosher
Odor Description:Cabbage, ripe Camembert, rancid, floral green (grass, mature pineapple)
Taste Description:fruity
Useful in passionfruit, tropical fruit, guava, grapefruit in dilution. Also used in vegetable, savoury, tropical fruit, pineapple and cheese flavours. Odour threshold in water: 0.3 ppb. From a range of S-methyl thioesters.
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
S-Methyl thiohexanoate
Carbosynth
For experimental / research use only.
S-Methyl thiohexanoate
Charkit Chemical
METHYL THIOHEXANOATE M2934
Endeavour Specialty Chemicals
S-Methyl thiohexanoate 99% F&F
Speciality Chemical Product Groups
Excellentia International
Methyl ThioHexanoate Natural
Penta International
S-METHYL HEXANETHIOATE, Kosher
R C Treatt & Co Ltd
S-Methyl hexanethioate
Halal, Kosher
Odor: Cabbage, ripe Camembert, rancid, floral green (grass, mature pineapple)
Flavor: fruity
Useful in passionfruit, tropical fruit, guava, grapefruit in dilution. Also used in vegetable, savoury, tropical fruit, pineapple and cheese flavours. Odour threshold in water: 0.3 ppb. From a range of S-methyl thioesters.
Robinson Brothers
S-Methyl thiohexanoate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Taytonn
Methyl Thiohexanoate
Odor: Fruity, Green, Sulphurous
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
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: flavoring agents
Recommendation for S-(methyl thio) hexanoate usage levels up to:
 not for fragrance use.
 
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: 100.000001000.00000
snack foods: --
soft candy: 0.100005.00000
soups: 0.100005.00000
sugar substitutes: --
sweet sauces: 0.100005.00000
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):2432-77-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :75515
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
S-methyl hexanethioate
Chemidplus:0002432771
 
References:
 S-methyl hexanethioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):75515
Pubchem (sid):135032442
Pherobase:View
 
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):HMDB39465
FooDB:FDB019069
Export Tariff Code:2915.60.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
alcoholic
fusel oil
FL/FR
caramellic
maltyl isobutyrate
FL/FR
chemical
iso
butyl formate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
ethereal
acetal
FL/FR
butyl acetate
FL/FR
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
methyl acetate
FL/FR
methyl ethyl ketone
FL/FR
2-
methyl valeraldehyde
FL/FR
iso
propyl acetate
FL/FR
iso
propyl formate
FL/FR
propyl valerate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
allyl octanoate
FL/FR
floral
benzyl isobutyrate
FL/FR
citronellyl acetate
FL/FR
geranyl propionate
FL/FR
nonan-3-yl acetate
FL/FR
beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
rose butanoate
FL/FR
fruity
acetaldehyde diisoamyl acetal
FL/FR
allyl butyrate
FL/FR
allyl hexanoate
FL/FR
allyl propionate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl propionate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl valerate
FL/FR
iso
butyl valerate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl propionate
FL/FR
geranyl ethyl ether
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl propionate
FL/FR
strawberry furanone butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
cognac heptanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
(Z)-2-
penten-1-ol
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
herbal
jambu oleoresin
FL/FR
viridiflorol
FL/FR
phenolic
2'-
hydroxyacetophenone
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
terpenic
gamma-
terpinene
FL/FR
tropical
genet absolute
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hotrienol
FL/FR
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
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
acetaldehyde diisoamyl acetal
FL/FR
iso
amyl 3-methyl thiopropionate
FL
butyl methyl ketone
FL
ethyl 2-methyl-2-(methyl thio) propionate
FL
ethyl 3-octenoate
FL
geranyl ethyl ether
FL/FR
2-
heptenoic acid
FL
2-
methyl butyl isobutyrate
FL
2-
methyl butyl propionate
FL
nonan-3-yl acetate
FL/FR
1-
phenethyl mercaptan
FL
propyl valerate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
viridiflorol
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
propionic acid
FL
alliaceous
allyl propionate
FL/FR
dipropyl trisulfide
FL
tropical thiazole
FL/FR
chemical
methyl ethyl ketone
FL/FR
citrus
cognac heptanone
FL/FR
grapefruit mercaptan
FL/FR
coconut
delta-
octalactone
FL/FR
cooling
jambu oleoresin
FL/FR
ethereal
butyl acetate
FL/FR
ethyl acetate
FL/FR
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
iso
propyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
floral
citronellyl acetate
FL/FR
hotrienol
FL/FR
tropical ionone
FL/FR
fruity
allyl hexanoate
FL/FR
amyl acetate
FL/FR
amyl butyrate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl isobutyrate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl isobutyrate
FL/FR
iso
butyl valerate
FL/FR
butyl valerate
FL/FR
cyclohexyl carboxylic acid
FL/FR
ethyl 2-octenoate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl propionate
FL/FR
fusel oil
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 2-methyl valerate
FL/FR
2-
methyl allyl butyrate
FL
methyl hexanoate
FL/FR
2-
pentanone
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl propionate
FL/FR
rose butanoate
FL/FR
strawberry furanone butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical trithiane
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
fusel
methyl butyrate
FL/FR
green
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
2-
ethyl butyraldehyde
FL
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hexyl 2-methyl butyrate
FL/FR
beta-
ocimene
FL/FR
(Z)-2-
penten-1-ol
FL/FR
1-
penten-3-ol
FL/FR
terpinyl propionate
FL/FR
hay
genet absolute
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
juicy
lychee mercaptan acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
naphthyl
2'-
hydroxyacetophenone
FL/FR
nutty
acetal
FL/FR
oily
tetrahydrofurfuryl propionate
FL
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
sulfurous
buchu mercaptan
FL/FR
grapefruit menthane
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
terpenic
gamma-
terpinene
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
vegetable
2-
methyl valeraldehyde
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:
FLcheese
FLcitrus
FLdairy
 fruit tropical fruit
 grapefruit
 guava
FRpassion fruit
FLpineapple
FLsavory
FLvegetable
 
Occurrence (nature, food, other):note
 hop oil
Search Trop Picture
 mushroom
Search PMC Picture
 
Synonyms:
 hexane thioic acid S-methyl ester
 hexanethioic acid, S-methyl ester
S-methane thiol caproate
S-methanethiol caproate
S-methyl hexane thioate
S-methyl hexanethioate
S-methyl thiohexanoate
S-(methylthio)hexanoate
 

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