We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

S-(methyl thio) hexanoate

Chemical Structure

General Material Information

Preferred name S-(methyl thio) hexanoate
Trivial Name Hexanethioic acid, S-methyl ester
Short Description S-methyl hexanethioate
Formula C7 H14 O S
CAS Number 2432-77-1
FEMA Number 3862
ECHA Number 219-410-8
FDA UNII MC7G128ACI
Nikkaji Number J125.770F
MDL MFCD03426527
xLogP3-AA 2.60 (est)
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2432-77-1 ; S-METHYL HEXANETHIOATE
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
  • S-methyl hexanethioate
  • S-Methyl thiohexanoate
  • 1-(Methylsulfanyl)hexan-1-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly 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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 146.25277709961
Specific gravity @ 20 °C
Pounds per Gallon 7.789 to 7.873
Refractive Index 1.458 to 1.468 @ 20 °C
Boiling Point 120 to 122°C @ 0 mm Hg
Boiling Point 187 to 188°C @ 760 mm Hg
Vapor Pressure 0.638 mmHg @ 25 °C
Flash Point TCC Value 51.67 °C TCC
logP (o/w) 2.897 est
Solubility
alcohol Yes
water, 1066 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, ethereal, green, tropical, cabbage, cheesy, rancid, floral
General comment At 0.10 % in dipropylene glycol. fruity ethereal green tropical cabbage cheesy rancid floral green

Occurrences

Potential Uses

Applications
Odor purposes Grapefruit, Guava, Passion fruit
Flavoring purposes Cheese, Citrus, Dairy, Fruit tropical fruit, Pineapple, Savory, Vegetable

Safety Information

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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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