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3-(Methylthio)propyl butanoate

3-(Methylthio)propyl butanoate structure

CAS No:
16630-60-7
Formula:
C8H16O2S
Chemical Name:
3-(Methylthio)propyl butanoate
Synonyms:
Butanoic acid,3-(methylthio)propyl ester;Butyric acid,3-(methylthio)propyl ester;1-Propanol,3-(methylthio)-,butyrate;3-(Methylthio)propyl butanoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colourless liquid; Cabbage/sewer odour

3-(Methylthio)propyl butanoate Basic Attributes

Molecular Weight：

176.27600

Exact Mass：

176.28

EC Number：

240-680-8

UNII：

V3QG29SI0P

DSSTox ID：

DTXSID50168088

HScode：

2930909090

Characteristics

PSA：

51.60000

XLogP3：

2.08280

Appearance：

Colourless liquid; Cabbage/sewer odour

Density：

0.994 g/cm³ @ Temp: 20 °C

Boiling Point：

108 °C @ Press: 11 Torr

Flash Point：

102.3ºC

Refractive Index：

1.461

Water Solubility：

Practically insoluble to insoluble in water

Safety Information

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 92 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(Methylthio)propyl butanoate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:176.28
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:176.08710092
Monoisotopic Mass:176.08710092
Topological Polar Surface Area:51.6
Heavy Atom Count:11
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 3-(Methylthio)propyl butanoate

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Guide of 3-(Methylthio)propyl butanoate

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

3-(Methylthio)propyl butanoate

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