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2,2-dimethyl-1-thiophen-2-ylpropan-1-one

2,2-dimethyl-1-thiophen-2-ylpropan-1-one structure

CAS No:
20409-48-7
Formula:
C9H12OS
Chemical Name:
2,2-dimethyl-1-thiophen-2-ylpropan-1-one
Synonyms:
2,2-dimethyl-1-thiophenyl-1-propanone;

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2,2-dimethyl-1-thiophen-2-ylpropan-1-one Basic Attributes

Molecular Weight：

168.25600

Exact Mass：

168.06088618

DSSTox ID：

DTXSID60380315

HScode：

2934999090

Characteristics

PSA：

45.31000

XLogP3：

2.97690

Density：

1.051g/cm3

Boiling Point：

248.4ºC at 760mmHg

Flash Point：

104ºC

Refractive Index：

1.535

Vapor Pressure：

0.0243mmHg at 25°C

Safety Information

hazard class code：

R22; R43

safety instructions：

S24/25

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302; H317

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:168.26
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:168.06088618
Monoisotopic Mass:168.06088618
Topological Polar Surface Area:45.3
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-dimethyl-1-thiophen-2-ylpropan-1-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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