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S-(1-Methylethyl) 3-methyl-2-butenethioate

S-(1-Methylethyl) 3-methyl-2-butenethioate structure

CAS No:
34365-79-2
Formula:
C8H14OS
Chemical Name:
S-(1-Methylethyl) 3-methyl-2-butenethioate
Synonyms:
2-Butenethioic acid,3-methyl-,S-(1-methylethyl) ester;Crotonic acid,3-methylthio-,S-isopropyl ester;S-(1-Methylethyl) 3-methyl-2-butenethioate;S-Isopropyl 3-methyl-2-butenethioate;3-Methyl-1-(propan-2-ylsulfanyl)but-2-en-1-one
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colourless to yellowish liquid; Fruity, onion aroma

S-(1-Methylethyl) 3-methyl-2-butenethioate Basic Attributes

Molecular Weight：

158.26100

Exact Mass：

158.26

EC Number：

251-966-7

UNII：

NZT1CT5W8U

DSSTox ID：

DTXSID1067837

HScode：

2930909090

Characteristics

PSA：

42.37000

XLogP3：

2.62080

Density：

0.956g/cm3

Boiling Point：

231.5ºC at 760mmHg

Flash Point：

87.8ºC

Refractive Index：

1.479

Water Solubility：

Practically insoluble to insoluble in water|Soluble (in ethanol)

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1376 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

S-(1-Methylethyl) 3-methyl-2-butenethioate Use and Manufacturing

Manufacturing Info：

2-Butenethioic acid, 3-methyl-, S-(1-methylethyl) ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:158.26
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:158.07653624
Monoisotopic Mass:158.07653624
Topological Polar Surface Area:42.4
Heavy Atom Count:10
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S-(1-Methylethyl) 3-methyl-2-butenethioate

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

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