S-(methyl thio) hexanoate
S-methyl hexanethioate
 
Notes:
None found
  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
      Expertise in Small to Medium Scale Chemical Manufacturing
      Endeavour Speciality Chemicals offers high-impact aroma chemicals, all produced at the highest standards of quality.
      Endeavour Speciality Chemical has 25 years' experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavour's products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site.
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      Product(s):
      TE0110 S-Methyl thiohexanoate 99% F&F
       
  • Excellentia International
    • Excellentia International
      Ingredients by Nature
      Exceptional quality and excellence in meeting our customers requirements.
      Excellentia International was founded in 2010 through the merger of Excellentia Flavors LLC and Polarome International. Collectively, these companies account for more than one hundred years of industry experience, and are recognized for exceptional quality and excellence in meeting our customers’ requirements.
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      Voice: 732.749.9840
      Our Services
      Product(s):
      Methyl ThioHexanoate Natural
       
  • Frutarom
    • Frutarom Ltd
      Discover Our Passion
      Your preferred partner for flavour and fragrance success.
      At Frutarom, we take pride in our expertise and knowledge of Flavour & Fragrance Ingredients and our thorough understanding of the needs of Flavourists, Perfumers and Food Technologists. Working closely with our customers we have a strong track record of providing unique solutions to fulfil requirements.
      US Email: Info- USA
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      US Voice: +1 513 870 4900
      Products List: View
      Product(s):
      M2934 METHYL THIOHEXANOATE ≥99.00%, NI, Kosher
      Suggested Uses: Cheese, Citrus Fruits, Dairy Products, Mango, Pineapple, Soft Fruits, Tropical Fruits
       
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-50500 S-METHYL HEXANETHIOATE, Kosher
       
  • Robinson Brothers
    • Robinson Brothers Limited
      Providing Excellence in Chemistry
      Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
      Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation.
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      Product(s):
      TE0110 S-Methyl thiohexanoate F&F
       
  • Taytonn
    • TAYTONN PTE LTD
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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      Product(s):
      Methyl Thiohexanoate
       
  • Treatt
    • Treatt PLC
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
      We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
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      Product(s):
      S-Methyl hexanethioate Halal, Kosher

      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.
       
       
Synonyms   Articles   Notes   Search
S-methyl hexanethioate (Click)
CAS Number: 2432-77-1Picture of molecule
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
IBM Patents: Obtain
Pubchem Patents: Search
FEMA Number: 3862  S-methyl hexanethioate
FDA Mainterm: S-METHYL HEXANETHIOATE
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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
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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
  
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
S-Methyl thiohexanoate
Endeavour Specialty Chemicals
S-Methyl thiohexanoate 99% F&F
Speciality Chemical Product Groups
Excellentia International
Methyl ThioHexanoate Natural
Frutarom
METHYL THIOHEXANOATE
≥99.00%, NI, Kosher
Odor: Fruity, Green, Sulphurus
Use: Suggested Uses: Cheese, Citrus Fruits, Dairy Products, Mango, Pineapple, Soft Fruits, Tropical Fruits
Penta International
S-METHYL HEXANETHIOATE, Kosher
Robinson Brothers
S-Methyl thiohexanoate F&F
http://www.robinsonbrothers.co.uk/pages/chemistry-competencies
Taytonn
Methyl Thiohexanoate
Odor: Fruity, Green, Sulphurous
Treatt
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.
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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
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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
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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
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References:
 S-methyl hexanethioate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 75515
Pubchem (sid): 135032442
Pherobase: View
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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
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
acidic
2-ethyl butyric acidFL/FR
caramellic
 maltyl isobutyrateFL/FR
chemical
isobutyl formateFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
ethereal
 ethyl acetateFL/FR
 ethyl pyruvateFL/FR
 methyl acetateFL/FR
 methyl ethyl ketoneFL/FR
isopropyl acetateFL/FR
isopropyl formateFL/FR
fatty
 allyl octanoateFL/FR
floral
 benzyl isobutyrateFL/FR
 citronellyl acetateFL/FR
 geranyl propionateFL/FR
beta-ocimeneFL/FR
 phenethyl acetateFL/FR
 rose butanoateFL/FR
fruity
 acetaldehyde diisoamyl acetalFL/FR
 allyl butyrateFL/FR
 allyl hexanoateFL/FR
 allyl propionateFL/FR
 amyl butyrateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 benzyl methyl etherFL/FR
 berry pentadienoateFL/FR
isobutyl acetateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
2-ethyl butyl acetateFL/FR
 geranyl methyl tiglate 
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl nonanoateFL/FR
2-pentanoneFL/FR
 plum crotonateFR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
2-methyl valeraldehydeFL/FR
1-penten-3-olFL/FR
 terpinyl propionateFL/FR
herbal
 jambu oleoresinFL/FR
 viridiflorolFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
S-tropical 2-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
 genet absoluteFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hotrienolFL/FR
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
waxy
 ethyl nonanoateFL/FR
 nonyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde diisoamyl acetalFL/FR
isoamyl 3-methyl thiopropionateFL
 benzyl methyl etherFL/FR
 ethyl 3-octenoateFL
1-phenethyl mercaptanFL
S-tropical 2-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
acidic
2-ethyl butyric acidFL/FR
alliaceous
 allyl propionateFL/FR
 dipropyl trisulfideFL
 tropical thiazoleFL/FR
caramellic
 maltyl isobutyrateFL/FR
chemical
 methyl ethyl ketoneFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
cooling
 jambu oleoresinFL/FR
ethereal
 ethyl acetateFL/FR
 methyl acetateFL/FR
isopropyl acetateFL/FR
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
 hotrienolFL/FR
 tropical iononeFL/FR
fruity
 allyl hexanoateFL/FR
 amyl butyrateFL/FR
 amyl formateFL/FR
 amyl heptanoateFL/FR
isoamyl propionateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
isobutyl acetateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
2-ethyl butyl acetateFL/FR
 geranyl methyl tiglate 
3-mercaptohexyl hexanoateFL
 methyl 2-methyl valerateFL/FR
2-methyl allyl butyrateFL
2-pentanoneFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl propionateFL/FR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
2-ethyl butyraldehydeFL
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
2-methyl valeraldehydeFL/FR
beta-ocimeneFL/FR
1-penten-3-olFL/FR
 terpinyl propionateFL/FR
hay
 genet absoluteFL/FR
honey
 phenethyl acetateFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
 lychee mercaptan acetateFL/FR
meaty
3-mercapto-2-butanoneFL
naphthyl
2'-hydroxyacetophenoneFL/FR
oily
 tetrahydrofurfuryl propionateFL
rummy
isobutyl formateFL/FR
 ethyl pyruvateFL/FR
sulfurous
 buchu mercaptanFL/FR
 grapefruit menthaneFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 nonyl acetateFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 cheeseFL
 citrusFL
 dairyFL
 fruit tropical fruit 
 grapefruit 
 guava 
 passion fruit 
 pineappleFL
 savoryFL
 vegetable 
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Natural Occurrence in: note
 hops oil
GRIN Trop Picture
 mushroom
GRIN Trop Picture
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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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