3-mercaptohexyl hexanoate
3-sulfanylhexyl hexanoate
 
Notes:
Flavouring agent
  • 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.
      Email: Info
      Email: Sales
      Voice: +44 (0)1327 310 079
      Fax: +44 (0)1327 310 701
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      Speciality Chemical Product Groups
      Product(s):
      TH0340 3-Mercaptohexyl hexanoate 98% F&F
       
  • 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
      Email: Info - UK
      Voice: +44 (0) 1429 863 222
      US Voice: +1 513 870 4900
      Products List: View
      Product(s):
      M01360 3-MERCAPTOHEXYL HEXANOATE ≥98.00%, NI, Kosher
      Suggested Uses: Citrus 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.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      13-15655 3-MERCAPTOHEXYL HEXANOATE, Kosher
       
  • Robinson Brothers
  • 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.
      Email: Info
      Email: Sales
      Voice: + 65 - 6861 8113
      Fax: + 65 - 6861 8115
      Product(s):
      3-Mercaptohexyl Hexanoate
       
  • 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.
      Email: Enquiries
      US Email: Enquiries
      Voice: +44 (0) 1284 702500
      Fax: +44 (0) 1284 703809
      US Voice: +1 863 668 9500
      US Fax: +1 863 668 3388
      News
      Product(s):
      3-Mercaptohexyl hexanoate Halal, Kosher

      Use: tropical fruit and cooked vegetable flavors, at 0.5-1ppm.
       
       
Synonyms   Articles   Notes   Search
3-sulfanylhexyl hexanoate (Click)
CAS Number: 136954-22-8Picture of molecule
FDA UNII: 023W2KD2VX
Nikkaji Web: J1.544.203D
XlogP3-AA: 4.00 (est)
Molecular Weight: 232.38668000
Formula: C12 H24 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: 556  3-mercaptohexyl hexanoate
Flavis Number: 12.251 (Old)
DG SANTE Food Flavourings: 12.251  3-mercaptohexyl hexanoate
FEMA Number: 3853  3-mercaptohexyl hexanoate
FDA Mainterm: 3-MERCAPTOHEXYL HEXANOATE
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 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: 1.46000 to 1.47000 @  20.00 °C.
Boiling Point: 280.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 210.00 °F. TCC ( > 98.89 °C. )
logP (o/w): 4.665 (est)
Soluble in:
 alcohol
 triacetin
 water, 3.077 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 fruity  sulfurous  tropical  passion fruit  
Odor Description:
at 0.10 % in dipropylene glycol. 
fruity sulfurous tropical passion fruit
 tropical  fruity  fruit tropical fruit  
Taste Description:
tropical fruity tropical fruit
  
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Endeavour Specialty Chemicals
3-Mercaptohexyl hexanoate 98% F&F
Speciality Chemical Product Groups
Frutarom
3-MERCAPTOHEXYL HEXANOATE
≥98.00%, NI, Kosher
Odor: Fruity, Sulphurus, Tropical, Vegetable
Use: Suggested Uses: Citrus Fruits, Tropical Fruits
Penta International
3-MERCAPTOHEXYL HEXANOATE, Kosher
Robinson Brothers
3-Mercaptohexyl hexanoate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Taytonn
3-Mercaptohexyl Hexanoate
Odor: Fruity, Sulphurous, Tropical, Vegetable
Treatt
3-Mercaptohexyl hexanoate
Halal, Kosher
Odor: sulphurous, tropical fruit, passionfruit
Flavor: tropical
Use: tropical fruit and cooked vegetable flavors, at 0.5-1ppm.
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-mercaptohexyl 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: 0.020000.20000
beverages(nonalcoholic): 0.005000.05000
beverages(alcoholic): 0.010000.10000
breakfast cereal: --
cheese: --
chewing gum: 0.050000.30000
condiments / relishes: --
confectionery froastings: 0.010000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.010000.10000
fruit ices: 0.010000.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.010000.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 0.010000.10000
nut products: --
other grains: --
poultry: --
processed fruits: 0.010000.10000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 0.010000.10000
soups: --
sugar substitutes: --
sweet sauces: --
Synonyms   Articles   Notes   Search   Top
Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 536987
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 3-sulfanylhexyl hexanoate
Chemidplus: 0136954228
Synonyms   Articles   Notes   Search   Top
References:
Leffingwell: chirality
 3-sulfanylhexyl hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 536987
Pubchem (sid): 135215475
Synonyms   Articles   Notes   Search   Top
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): HMDB37766
FooDB: FDB018427
Export Tariff Code: 2915.90.7000
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
FAO: 3-Mercaptohexyl hexanoate
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
acidic
acidic
2-ethyl butyric acidFL/FR
balsamic
 linalyl cinnamateFL/FR
isopropyl cinnamateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 strawberry furanone acetateFL/FR
citrus
 grapefruit mercaptanFL/FR
coconut
delta-octalactoneFL/FR
ethereal
isopropyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 allyl octanoateFL/FR
floral
para-anisyl butyrateFL/FR
 benzyl isobutyrateFL/FR
 citronellyl acetateFL/FR
black currant bud concreteFL/FR
 geranyl propionateFL/FR
alpha-iononeFL/FR
beta-ocimeneFL/FR
 phenethyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose butanoateFL/FR
 styralyl isobutyrateFL/FR
 styralyl propionateFL/FR
fruity
 allyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 allyl propionateFL/FR
 amyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 benzyl butyrateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
neocaspireneFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
 heptyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl nonanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 green note propionateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
 marigold pot absoluteFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 jambu oleoresinFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
2-pentyl acetateFL/FR
 viridiflorolFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
spicy
 myrceneFL/FR
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 grapefruit menthaneFL/FR
 lychee mercaptan acetateFL/FR
 mango thiolFL/FR
4-methoxy-2-methyl butane thiolFL/FR
 passiflora acetateFL/FR
3-thiohexanolFL/FR
S-tropical 2-thiobutyrateFL/FR
4-tropical oxathianeFL/FR
terpenic
gamma-terpineneFL/FR
tropical
cis-galbanum oxathianeFL/FR
 genet absoluteFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 hotrienolFL/FR
3-nonen-4-olideFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 psidium guajava fruit extractFL/FR
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
waxy
 ethyl nonanoateFL/FR
 heptyl octanoateFL/FR
 nonyl acetateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
 blackberry thiophenoneFL/FR
neocaspireneFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
 ethyl 2-(methyl thio) acetateFL
 ethyl 2-methyl-2-(methyl thio) propionateFL
 ethyl 3-octenoateFL
 methyl 2-(methyl thio) acetateFL
S-(methyl thio) hexanoateFL
(E)-6-methyl-3-hepten-2-oneFL/FR
3-nonen-4-olideFL/FR
1-phenethyl mercaptanFL
S-prenyl thioisobutyrateFL
S-prenyl thioisovalerateFL
isopropyl cinnamateFL/FR
 rhodinyl isobutyrateFL/FR
 sorbyl propionateFL
 styralyl isobutyrateFL/FR
S-tropical 2-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 allyl thiohexanoateFL
 hexyl 2-methyl-3-pentenoateFL/FR
3-mercapto-3-methyl-1-butyl acetateFL
acidic
2-ethyl butyric acidFL/FR
alliaceous
 allyl propionateFL/FR
 dipropyl trisulfideFL
 tropical thiazoleFL/FR
caramellic
 strawberry furanone acetateFL/FR
cheesy
 methyl ketonesFL
citrus
 grapefruit mercaptanFL/FR
3-mercaptoheptyl acetateFL
2-pentyl acetateFL/FR
 styralyl propionateFL/FR
coconut
delta-octalactoneFL/FR
cooling
 jambu oleoresinFL/FR
creamy
 triacetinFL
ethereal
4-hexen-3-oneFL
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
 hotrienolFL/FR
alpha-iononeFL/FR
 rhodinyl butyrateFL/FR
 tropical iononeFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 benzyl butyrateFL/FR
 benzyl isobutyrateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
black currant bud concreteFL/FR
 cyclohexyl carboxylic acidFL/FR
 ethyl 2-octenoateFL/FR
tropical fruit flavorFL
2,4-hexadien-1-olFL
 hexyl hexanoateFL/FR
 kiwi flavorFL
 linalyl cinnamateFL/FR
 lychee flavorFL
2-mercapto-4-heptanolFL
 methionyl butyrateFL
 methyl 2-methyl valerateFL/FR
 papaya guava flavorFL
 passion fruit distillatesFL
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
4-tropical oxathianeFL/FR
 tropical trithianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
cis-galbanum oxathianeFL/FR
 green note propionateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 marigold pot absoluteFL/FR
beta-ocimeneFL/FR
1-penten-3-olFL/FR
 phenoxyethyl isobutyrateFL/FR
 terpinyl propionateFL/FR
hay
 genet absoluteFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu oil fractionsFL
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
juicy
 lychee mercaptan acetateFL/FR
malty
 yeast thiazolineFL
meaty
3-mercapto-2-butanoneFL
musty
para-anisyl butyrateFL/FR
naphthyl
2'-hydroxyacetophenoneFL/FR
oily
 tetrahydrofurfuryl propionateFL
sulfurous
 buchu mercaptanFL/FR
S-ethyl thioacetateFL
 grapefruit menthaneFL/FR
 mango thiolFL/FR
4-methoxy-2-methyl butane thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
3-thiohexanolFL/FR
 tropical 3-thiobutyrateFL/FR
terpenic
gamma-terpineneFL/FR
tropical
 anacardium occidentale fruit pureeFL
 heptyl butyrateFL/FR
3-mercaptohexyl acetateFL/FR
3-mercaptohexyl butyrateFL
 passiflora acetateFL/FR
 passiflora edulis fruit extractFL/FR
 passiflora edulis fruit waterFL/FR
 psidium guajava fruitFL
 psidium guajava fruit extractFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 heptyl octanoateFL/FR
 nonyl acetateFL/FR
winey
 methyl nonanoateFL/FR
woody
 myrceneFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 citrusFL
 fruit tropical fruit 
 passion fruit 
 vegetable cooked 
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 passion fruit
Search Trop  Picture
 passion fruit yellow
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
 hexanoic acid, 3-mercaptohexan-1-yl ester
 hexanoic acid, 3-mercaptohexyl ester
3-mercaptohexyl caproate
3-sulfanyl hexyl hexanoate
3-sulfanylhexyl hexanoate
 thiohexyl caproate
3-thiohexyl caproate
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Articles:
 None found yet.
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