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1,1,3-TRIMETHYLCYCLOPENTANE

1,1,3-TRIMETHYLCYCLOPENTANE structure

CAS No:
4516-69-2
Formula:
C8H16
Chemical Name:
1,1,3-TRIMETHYLCYCLOPENTANE
Synonyms:
1,1,3-TRIMETHYLCYCLOPENTANE;Cyclopentane, 1,1,3-trimethyl-;NSC73945;NSC 73945;1,3-Trimethylcyclopentane;Cyclopentane, 1,1,3-trimethyl- (8CI)(9CI);Cyclopentane,1,3-trimethyl-;1,1,3-Trimethyl cyclopentane;Cyclopentane,1,1,3-trimethyl-;CTK4I8660

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1,1,3-TRIMETHYLCYCLOPENTANE Basic Attributes

Molecular Weight：

112.216

Exact Mass：

112.125198

NSC Number：

73945

HScode：

2902199090

Characteristics

PSA：

XLogP3：

4.35

Density：

0.8±0.1 g/cm3

Melting Point：

-14.2ºC

Boiling Point：

104.9±0.0 °C at 760 mmHg

Flash Point：

6.4±11.7 °C

Refractive Index：

1.418

Water Solubility：

3.73 mg/kg at 25 °C (shake flask-GLC, Price, 1976)

Vapor Pressure：

39.7 at 25 °C (Wilhoit and Zwolinski, 1971)

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 1993

1,1,3-TRIMETHYLCYCLOPENTANE Use and Manufacturing

1,1,3-TRIMETHYLCYCLOPENTANE can be synthesized from 1-chloro-1,3-dimethyl-cyclopentane (CAS Number 854418-17-0) and Dimethylzinc (CAS Number 544-97-8). 1,1,3-TRIMETHYLCYCLOPENTANE can be used to make p-xylene (CAS: 106-42-3), m-xylene (CAS: 108-38-3), o-xylene (CAS: 95-47-6) and other products.

Computed Properties

Molecular Weight:112.21
XLogP3:3.6
Exact Mass:112.125200510
Monoisotopic Mass:112.125200510
Heavy Atom Count:8
Complexity:82
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1,3-TRIMETHYLCYCLOPENTANE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1,1,3-TRIMETHYLCYCLOPENTANE

SDS

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