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ChemicalBook--->CAS DataBase List--->136954-25-1

136954-25-1

136954-25-1 Structure

136954-25-1 Structure
IdentificationBack Directory
[Name]

3-(ACETYLTHIO)HEXYL ACETATE
[CAS]

136954-25-1
[Synonyms]

PASSIFLORAN
3-(ACETYLTHIO)HEXYL ACETATE
3-ACETYLMERCAPTOHEXYLACETATE
3-(ACETYLTHIO)HEXYL ACETATE 98%
3-(Acetylthio)hexyl acetate,98%
3-ACETYLSILFANYLHEXAN-1-YL ACETATE
3-(Acetylthio)hexyl acetatePassifloran3-Acetylsilfanylhexan-1-yl acetate
[Molecular Formula]

C10H18O3S
[MDL Number]

MFCD02093915
[MOL File]

136954-25-1.mol
[Molecular Weight]

218.31
Chemical PropertiesBack Directory
[Appearance]

clear colorless to pale yellowish liquid
[Boiling point ]

329.01°C (rough estimate)
[density ]

1.1932 (rough estimate)
[FEMA ]

3816 | 3-ACETYLMERCAPTOHEXYL ACETATE
[refractive index ]

1.467-1.469
[Fp ]

100 °C
[Odor]

at 0.10 % in dipropylene glycol. sulfury metallic buchu catty sweet fruity tropical
[Odor Type]

sulfurous
[JECFA Number]

494
[LogP]

2.62
[EPA Substance Registry System]

Ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]butyl] ester (136954-25-1)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to pale yellowish liquid
[Definition]

ChEBI: S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is a thiocarboxylic ester.
Safety DataBack Directory
[Safety Statements ]

24/25
[HS Code ]

29153900
Questions And AnswerBack Directory
[Identification]

CAS.No.: 
136954-25-1 
FL.No.: 
n/a 
FEMA.No.: 
3816
NAS.No.: 
n/a 
CoE.No.: 
n/a 
EINECS.No.: 
n/a 
JECFA.No.: 
494
 
 
[Regulatory Status]

CoE: n/a
FDA: n/a
FDA Rx: n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (1999).
[Usage]

Reported uses (ppm): (FEMA, 1998)
Food Category 
Usual 
Max. 
Alcoholic.beverages 
0.01
0.1
Baked goods 
0.01
0.1
Chewing gum 
0.05
0.3
Confection, frosting 
0.01
0.1
Frozen dairy 
0.01
0.1
Fruit ices 
0.01
0.1
Gelatins, puddings 
0.01
0.1
Hard candy 
0.01
0.1
Instant coffee, tea 
0.0001
0.001
Milk products 
0.01
0.1
Nonalcoholic beverages 
0.005
0.05
Processed fruits 
0.01
0.05
Soft candy 
0.01
0.1
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