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2-Acetyl-3-methylthiophene

2-Acetyl-3-methylthiophene structure

CAS No:
13679-72-6
Formula:
C7H8OS
Chemical Name:
2-Acetyl-3-methylthiophene
Synonyms:
Ethanone,1-(3-methyl-2-thienyl)-;Ketone,methyl 3-methyl-2-thienyl;1-(3-Methyl-2-thienyl)ethanone;2-Acetyl-3-methylthiophene;3-Methyl-2-acetylthiophene;3-Methyl-2-thienyl methyl ketone;NSC 170616;1-(3-Methylthien-2-yl)ethanone;1-(3-Methylthiophen-2-yl)ethanone;1-(3-Methylthiophen-2-yl)ethan-1-one
Categories:
Organic Chemistry > Nitrogen Compounds

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Description

2-Acetyl-3-methylthiophene is an aromatic ketone.

2-Acetyl-3-methylthiophene Basic Attributes

Molecular Weight：

140.2

Exact Mass：

140.20

BRN：

112023

EC Number：

237-179-1

NSC Number：

170616

DSSTox ID：

DTXSID90159930

HScode：

29349990

Characteristics

PSA：

45.3

XLogP3：

2.25910

Appearance：

colorless transparent liquid

Density：

1.124 g/mL at 25 °C(lit.)

Boiling Point：

98-99 °C @ Press: 14 Torr

Flash Point：

199 °F

Refractive Index：

n 20/D 1.562(lit.)

Water Solubility：

1510 mg/L @ 25 °C (est)

Vapor Pressure：

0.152mmHg at 25°C

Peroxide Forming Chemical：

2-Acetyl-3-methylthiophene|D: Other compounds that may form peroxides|NFPA|A vacuum distillation of 2-acetyl-3-methylthiophene detonated on a lab bench. See Bretherick's.

Safety Information

Packing level：

III

Hazard category：

IRRITANT, IRRITANT-HARMFUL

Transport codes：

PG 3

wgk germany：

hazard class code：

20/21/22-22

safety instructions：

36/37-36

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

Not Classified

Computed Properties

Molecular Weight:140.20
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.02958605
Monoisotopic Mass:140.02958605
Topological Polar Surface Area:45.3
Heavy Atom Count:9
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphonic acid

Sodium carbonate

Acetonitrile

Phosphoric acid

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Guide of 2-Acetyl-3-methylthiophene

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Material
Latest News
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2-Acetyl-3-methylthiophene

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