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3,5-Dimethylcyclohexanol

3,5-Dimethylcyclohexanol structure

CAS No:
5441-52-1
Formula:
C8H16O
Chemical Name:
3,5-Dimethylcyclohexanol
Synonyms:
Cyclohexanol,3,5-dimethyl-;3,5-Dimethylcyclohexanol;NSC 21130
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

3,5-Dimethylcyclohexanol is a member of cyclohexanols.

3,5-Dimethylcyclohexanol Basic Attributes

Molecular Weight：

128.215

Exact Mass：

128.21

EC Number：

226-630-8

NSC Number：

21130

Characteristics

PSA：

20.2

XLogP3：

1.80340

Density：

0.8806 g/cm³ @ Temp: 38.90001953125 °C

Melting Point：

11.6 °C

Boiling Point：

187 °C

Flash Point：

73.3ºC

Refractive Index：

n20/D 1.455(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S23-S24/25

Computed Properties

Molecular Weight:128.21
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:80.6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes