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1460-57-7

1460-57-7 structural image
Product Name: TRANS-1,2-CYCLOHEXANEDIOL
Formula: C6H12O2
Synonyms: trans -2-Hydroxycyclohexanol;1,2-trans -Cyclohexanediol;1,2-trans -Dihydroxycyclohexane;trans-1,2-Cyclohexanediol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White or cream crystalline powder; [Alfa Aesar MSDS]
Vapor Pressure 0.01 [mmHg]
Chemical Classes Other Classes -> Alcohols and Polyols, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 116.16 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 116.083729621 g/mol
Monoisotopic Mass 116.083729621 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 62.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Trans-cyclohexane-1,2-diol is a cyclohexane-1,2-diol with trans-configuration. It is a metabolite of cyclohexene oxide and other such compounds. It has a role as a human xenobiotic metabolite.