Basic information
- Name:
trans-1,2-Cyclohexanediol
- CAS No.:
1460-57-7
- Molecular Structure:
- Formula:
- C6H12O2
- Molecular Weight:
- 116.16
- Synonyms:
- 1,2-Cyclohexanediol,trans- (8CI);1,2-trans-Cyclohexanediol;1,2-trans-Dihydroxycyclohexane;NSC 150568;NSC34836;rel-(1R,2R)-1,2-Cyclohexanediol;
- EINECS:
- 215-956-6
- Density:
- 1.157 g/cm3
- Melting Point:
- 101-104 °C(lit.)
- Boiling Point:
- 236.716 °C at 760 mmHg
- Flash Point:
- 114.252 °C
- Appearance:
- Off-white crystals or crystalline powder
- Hazard Symbols:
F- Safety Description:
- 23-24/25 Details
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Chemistry
IUPAC Name: (1R,2R)-Cyclohexane-1,2-diol
Molecular Formula: C6H12O2
Molecular Weight: 116.1583 g/mol
The Molecular Structure of trans-1,2-Cyclohexanediol (CAS NO.1460-57-7):
Index of Refraction: 1.526
Molar Refractivity: 30.85 cm3
Molar Volume: 100.4 cm3
Surface Tension: 40.7 dyne/cm
Density: 1.156 g/cm3
Melting Point: 101-104 °C(lit.)
Flash Point: 114.3 °C
Enthalpy of Vaporization: 55.04 kJ/mol
Boiling Point: 236.7 °C at 760 mmHg
Vapour Pressure: 0.00839 mmHg at 25 °C
XLogP3: 0.2
H-Bond Donor: 2
H-Bond Acceptor: 2
Exact Mass: 116.08373
MonoIsotopic Mass: 116.08373
Topological Polar Surface Area: 40.5
Heavy Atom Count: 8
Canonical SMILES: C1CCC(C(C1)O)O
Isomeric SMILES: C1CC[C@H]([C@@H](C1)O)O
InChI: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
InChIKey: PFURGBBHAOXLIO-PHDIDXHHSA-N
EINECS: 215-956-6
Product Categories: Benzhydrols, Benzyl & Special Alcohols;Aromatic alcohols and diols;Miscellaneous Reagents;Alcohols;Monomers;Polymer Science;Organic Building Blocks;Oxygen Compounds;Polyols
Uses
trans-1,2-Cyclohexanediol (CAS NO.1460-57-7) can be used in organic synthesis.
Production
Dropping the new steamed cyclohexene to the mixture of hydrogen peroxide and formic acid, maintain the reaction temperature 40-45 °C. Separated the product anti-1,2-cyclohexanediol, purification, then get the trans-1,2-Cyclohexanediol .
Safety Profile
Hazard Codes: 
F
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Specification
trans-1,2-Cyclohexanediol (CAS NO.1460-57-7) is also named as AI3-06458 ; NSC 34836 ; trans-1,2-Dihydroxycyclohexane ; 1,2-Cyclohexanediol, (1R,2R)-rel- ; trans-Cyclohexane-1,2-diol . trans-1,2-Cyclohexanediol (CAS NO.1460-57-7) is off-white crystals or crystalline powder.