| 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 | [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 | [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) |
| 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. |
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