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S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate

S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate structure

CAS No:
136954-25-1
Formula:
C10H18O3S
Chemical Name:
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate
Synonyms:
Ethanethioic acid,S-[1-[2-(acetyloxy)ethyl]butyl] ester;S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate;3-Acetylsulfanylhexyl acetate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

clear colorless to pale yellowish liquid

clear liquid

S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is a thiocarboxylic ester.

S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate Basic Attributes

Molecular Weight：

218.31

Exact Mass：

218.31

EC Number：

918-487-1

HScode：

29153900

Characteristics

PSA：

68.7

XLogP3：

2.38800

Density：

1.1932 (rough estimate)

Boiling Point：

329.01°C (rough estimate)

Flash Point：

100 °C

Refractive Index：

1.467-1.469

Water Solubility：

516.3 mg/L @ 25 °C (est)|insoluble in water; soluble in ethanol and heptane

Safety Information

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 89 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate Use and Manufacturing

Uses

Spices for food.

Manufacturing Info：

Ethanethioic acid, S-[1-[2-(acetyloxy)ethyl]butyl] ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:218.32
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:218.09766561
Monoisotopic Mass:218.09766561
Topological Polar Surface Area:68.7
Heavy Atom Count:14
Complexity:192
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate

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