1460-57-7
Product Name:
TRANS-1,2-CYCLOHEXANEDIOL
Formula:
C6H12O2
Synonyms:
trans -2-Hydroxycyclohexanol;1,2-trans -Cyclohexanediol;1,2-trans -Dihydroxycyclohexane;trans-1,2-Cyclohexanediol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White or cream crystalline powder; [Alfa Aesar MSDS] |
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Vapor Pressure | 0.01 [mmHg] |
Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.