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1,3-Cyclohexanediol

1,3-Cyclohexanediol structure

CAS No:
504-01-8
Formula:
C6H12O2
Chemical Name:
1,3-Cyclohexanediol
Synonyms:
1,3-Cyclohexanediol;Resorcitol;1,3-Benzenediol,hexahydro-;1,3-Dihydroxycyclohexane;NSC 30235
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear slightly yellow viscous liquid after melting

1,3-Cyclohexanediol Basic Attributes

Molecular Weight：

116.16

Exact Mass：

116.16

EC Number：

207-979-5

NSC Number：

30235

HScode：

2906199090

Characteristics

PSA：

40.5

XLogP3：

0.2

Density：

1.0951 g/cm³ @ Temp: 25 °C

Melting Point：

45 °C

Boiling Point：

138-141 °C @ Press: 11 Torr

Flash Point：

>230 °F

Refractive Index：

1.495-1.497

Water Solubility：

Soluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37

safety instructions：

S24/25

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H319-H335

Drug Information

MeSH Entry Terms：

1,3-cyclohexanediol

Computed Properties

Molecular Weight:116.16
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:8
Complexity:64.9
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,3-Cyclohexanediol

CAS No.: 504-01-8

Content: 99.00%

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