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Allyl methyl sulfide

Allyl methyl sulfide structure

CAS No:
10152-76-8
Formula:
C4H8S
Chemical Name:
Allyl methyl sulfide
Synonyms:
1-Propene,3-(methylthio)-;Sulfide,allyl methyl;3-(Methylthio)-1-propene;Allyl methyl sulfide;Methyl allyl sulfide;3-(Methylthio)propene;Methyl 2-propenyl sulfide;2-Propenyl methyl sulfide;Allyl methyl thioether;1-(Methylthio)-2-propene;Methyl allyl thioether;3-Methylsulfanylprop-1-ene
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

CLEAR COLOURLESS LIQUID

3-(Methylthio)-1-propene is an organic sulfide.

Allyl methyl sulfide Basic Attributes

Molecular Weight：

88.17

Exact Mass：

88.17

EC Number：

233-422-0

UNII：

V7QI1R316C

DSSTox ID：

DTXSID9064976

HScode：

29309090

Characteristics

PSA：

25.3

XLogP3：

1.68

Appearance：

clear, colorless liquid

Density：

0.8767 g/cm³ @ Temp: 20 °C

Boiling Point：

92 °C

Flash Point：

65 °F

Refractive Index：

n 20/D 1.4714(lit.)

Water Solubility：

3910 mg/L @ 25 °C (est)

Storage Conditions：

0-6°C

Vapor Pressure：

68.4mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

safety instructions：

16-29-33-15

RTECS Number：

UD1015000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210

Hazard Statements：

H225

GHS Classification：

|Warning|H317 (96.06%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 1420 companies from 5 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-methylthio-1-propene

Allyl methyl sulfide Use and Manufacturing

Manufacturing Info：

1-Propene, 3-(methylthio)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:88.17
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:88.03467143
Monoisotopic Mass:88.03467143
Topological Polar Surface Area:25.3
Heavy Atom Count:5
Complexity:24.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Allyl methyl sulfide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Allyl methyl sulfide

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