trans-1,2-Cyclohexanediol
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trans-1,2-Cyclohexanediol
structure -
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CAS No:
1460-57-7
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Formula:
C6H12O2
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Chemical Name:
trans-1,2-Cyclohexanediol
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Synonyms:
1,2-Cyclohexanediol,(1R,2R)-rel-;1,2-Cyclohexanediol,trans-;rel-(1R,2R)-1,2-Cyclohexanediol;trans-1,2-Cyclohexanediol;trans-1,2-Dihydroxycyclohexane;1,2-trans-Cyclohexanediol;1,2-trans-Dihydroxycyclohexane;trans-2-Hydroxycyclohexanol;(±)-trans-1,2-Cyclohexanediol;NSC 150568;NSC 34836;54383-22-1
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CAS No:
Description
OFF-WHITE CRYSTALS OR CRYSTALLINE POWDERChEBI: A cyclohexane-1,2-diol with trans-configuration. It is a metabolite of cyclohexene oxide and other such compounds.
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.
trans-1,2-Cyclohexanediol Basic Attributes
116.16
116.16
215-956-6
8W5CKZ32GP
DTXSID7075347
2906 19 00
Characteristics
40.5
0.2
off-white crystals or crystalline powder
0.9958 (rough estimate)
101-104 °C
117 °C
134 °C
1.4270 (estimate)
soluble in chloroform and methanol.
4 hPa (110 °C)
Safety Information
NONH for all modes of transport
3
23-24/25
F
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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