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Butyl methyl sulfide

Butyl methyl sulfide structure

CAS No:
628-29-5
Formula:
C5H12S
Chemical Name:
Butyl methyl sulfide
Synonyms:
Butane,1-(methylthio)-;Sulfide,butyl methyl;1-(Methylthio)butane;Methyl butyl sulfide;Butyl methyl sulfide;Butyl methyl thioether;2-Thiahexane;α-(Methylthio)butane;n-Butyl methyl sulfide;Methyl n-butyl sulfide;1-Methylsulfanylbutane;1-(Methylsulfanyl)butane

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Butyl methyl sulfide Basic Attributes

Molecular Weight：

104.214

Exact Mass：

104.21

EC Number：

211-034-2

UNII：

2N5IMB9XAP

DSSTox ID：

DTXSID0060852

HScode：

2930909090

Characteristics

PSA：

25.30000

XLogP3：

2.48

Density：

0.8427 g/cm³ @ Temp: 20 °C

Melting Point：

-97.8 °C

Boiling Point：

123.5 °C

Flash Point：

20.6±10.3 °C

Refractive Index：

1.444

Vapor Pressure：

15.60 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

1993

hazard class code：

R11

safety instructions：

S16-S23-S33

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Butyl methyl sulfide Use and Manufacturing

Manufacturing Info：

Butane, 1-(methylthio)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:104.22
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:104.06597156
Monoisotopic Mass:104.06597156
Topological Polar Surface Area:25.3
Heavy Atom Count:6
Complexity:19.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butyl methyl sulfide

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

Butyl methyl sulfide

SDS

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