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ChemicalBook--->CAS DataBase List--->136954-21-7

136954-21-7

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136954-21-7 Structure

136954-21-7 Structure
IdentificationBack Directory
[Name]

3-MERCAPTOHEXYL BUTYRATE
[CAS]

136954-21-7
[Synonyms]

FEMA 3852
3-THIOHEXYLBUTANOATE
3-THIOHEXYL BUTYRATE
3-MERCAPTOHEXYL BUTYRATE
HEXYL3-MERCAPTOBUTANOATE
3-MERCAPTOHEXYL BUTYRATE USP/EP/BP
Butanoic acid, 3-mercaptohexyl ester
[EINECS(EC#)]

200-198-0
[Molecular Formula]

C10H20O2S
[MDL Number]

MFCD08457873
[MOL File]

136954-21-7.mol
[Molecular Weight]

204.33
Chemical PropertiesBack Directory
[Boiling point ]

272.9±23.0 °C(Predicted)
[density ]

0.966±0.06 g/cm3(Predicted)
[FEMA ]

3852 | 3-MERCAPTOHEXYL BUTYRATE
[pka]

10.43±0.10(Predicted)
[Odor]

at 0.10 % in dipropylene glycol. sulfurous passion fruit fruity tropical overripe fruit
[Odor Type]

sulfurous
[JECFA Number]

555
[LogP]

3.60
[NIST Chemistry Reference]

3-Mercaptohexyl butanoate(136954-21-7)
Questions And AnswerBack Directory
[limited use]

FEMA (mg/kg): bakery products 0.02-0.2; non-alcoholic beverages 0.005-0.05; alcoholic beverages, candies, frostings, cold drinks, fruit ice products, gel products, puddings, dairy products, processed fruits, 0.01-0.1; Gum sugar 0,05 ~ 0.3.
Hazard InformationBack Directory
[Occurrence]

Reported found in yellow passion fruit.
[Definition]

ChEBI: 3-Mercaptohexyl butyrate is a fatty acid ester.
[Aroma threshold values]

Aroma characteristics at 1.0%: sulfurous, slightly roasted meaty savory, alliaceous roasted onion and vegetative with tropical fruity body nuances.
[Taste threshold values]

Taste characteristics at 2.5 ppm: sulfurous, savory meaty, onionlike with a rich tropical fruit body.
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