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1,2-Cyclohexanediol

1,2-Cyclohexanediol structure

CAS No:
931-17-9
Formula:
C6H12O2
Chemical Name:
1,2-Cyclohexanediol
Synonyms:
1,2-Cyclohexanediol;Pyrocatechitol;1,2-Benzenediol,hexahydro-;2-Hydroxycyclohexanol;1,2-Dihydroxycyclohexane;NSC 10110
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

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Cyclohexane-1,2-diol is a diol that consists of a cyclohexane skeleton carrying two hydroxy substituents.

1,2-Cyclohexanediol Basic Attributes

Molecular Weight：

116.16

Exact Mass：

116.16

EC Number：

213-229-8

NSC Number：

150568|52143|34836|10110

DSSTox ID：

DTXSID7075347

HScode：

2906199090

Characteristics

PSA：

40.5

XLogP3：

0.2

Appearance：

beige crystals.

Density：

0.9482 g/cm³ @ Temp: 20 °C

Melting Point：

75-76 °C

Boiling Point：

225 °C

Flash Point：

114.3±13.0 °C

Refractive Index：

1.527

Water Solubility：

H2O: soluble

Safety Information

safety instructions：

S23-S24/25

RTECS Number：

GV0220000

Precautionary statement(s)：

S23-S24/25

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Subcutaneous	Rodent - mouse	108 mg/kg	Details of toxic effects not reported other than lethal dose value--	Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. (Buchexport, Postfach 160, Leipzig DDR-7010, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 2,333,1947

Drug Information

MeSH Entry Terms：

1,2-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:62.9
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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