1,3-Cyclohexanediol
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 1.0951 g/mL (at 25 °C)
- Melting point
- 45 °C
- Boiling point
- 138–141 °C (at 11 Torr)
- logP
- 0.28Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312 Harmful if swallowed or in contact with skin72.2% of notifiers
- H302 Harmful if swallowed72.2% of notifiers
- H312 Harmful in contact with skin72.2% of notifiers
- H315 Causes skin irritation72.2% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation27.8% of notifiers
- H412 Harmful to aquatic life with long lasting effects72.2% of notifiers
Aggregated from 144 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
504-01-8SMILES
OC1CCCC(O)C1InChIKey
RLMGYIOTPQVQJR-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Resorcitol
- 1,3-Benzenediol, hexahydro-
- 1,3-Dihydroxycyclohexane
- NSC 30235
Work with 1,3-Cyclohexanediol
Similar compounds
Cyclobutanol2919-23-571 % similar
3-Methylcyclohexanol591-23-160 % similar
3-Aminocyclohexanol6850-39-160 % similar
Cyclopentanol96-41-360 % similar
1,3,5-Cyclohexanetriol2041-15-857 % similar
Cyclohexanol108-93-056 % similar
Cyclododecanol1724-39-656 % similar
Cycloheptanol502-41-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.