| Identification | More | [Name]
3-Mercaptohexyl acetate | [CAS]
136954-20-6 | [Synonyms]
3-MERCAPTOHEXYL ACETATE
3-THIOHEXYL ACETATE
FEMA 3851
HEXANE-3-THIOL ACETATE
3-Sulfanylhexyl acetate
3-mercaptohexyl-acetate,3-mercapto-1-hexanol-1-acetate
Hexane-3-thiol acetate 95%
3-mercapto-1-hexanol acetate | [EINECS(EC#)]
603-987-1 | [Molecular Formula]
C8H16O2S | [MDL Number]
MFCD00792516 | [Molecular Weight]
176.28 | [MOL File]
136954-20-6.mol |
| Chemical Properties | Back Directory | [Boiling point ]
235.7±23.0 °C(Predicted) | [density ]
0.987±0.06 g/cm3(Predicted) | [FEMA ]
3851 | [refractive index ]
1.4560 to 1.4600 | [Fp ]
73° | [storage temp. ]
Hygroscopic, Refrigerator, under inert atmosphere | [solubility ]
Chloroform (Sparingly),Methanol (Slightly) | [form ]
Oil | [pka]
10.53±0.10(Predicted) | [color ]
Colourless | [Odor]
at 0.10 % in dipropylene glycol. floral fruity pear tropical passion fruit blackberry raspberry black currant bud | [biological source]
synthetic | [Odor Type]
fruity | [JECFA Number]
554 | [Stability:]
Hygroscopic | [Major Application]
flavors and fragrances | [InChI]
1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3 | [InChIKey]
JUCARGIKESIVLB-UHFFFAOYSA-N | [SMILES]
CCCC(S)CCOC(C)=O | [LogP]
2.54 | [CAS DataBase Reference]
136954-20-6(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Mercaptohexyl acetate(136954-20-6) | [EPA Substance Registry System]
136954-20-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P271-P280 | [Hazard Codes ]
Xi | [WGK Germany ]
WGK 3 | [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HS Code ]
2930909899 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [Occurrence]
Reported found in yellow passion fruit. | [Uses]
3-Sulfanylhexyl Acetate is a precursor of 3-mercaptohexan-1-ol (M225270) found in grape juice. | [Definition]
ChEBI: An acetate ester obtained by formal O-acetylation of 3-mercaptohexanol. | [Aroma threshold values]
Aroma characteristics at 0.001%: green sulfurous with a sweet meaty background, slightly caramelized
onion-like and with a catty dry out. | [Taste threshold values]
Taste characteristics at 0.0005 ppm: sulfurous, fruity, catty, savory meaty, fried onion, with a tropical fruity
catty aftertaste. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
|