CAS 696-71-9 Cyclooctanol (HCID 12766)

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Basic information

CAS: 696-71-9
Standard SMILES: OC1CCCCCCC1
InChIKey: FHADSMKORVFYOS-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Overview

MF: C8-H16-O; structure in first source

Names & identifiers

Preferred name: Cyclooctanol
IUPAC: cyclooctanol
English name: Cyclooctanol
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

CYCLOOCTANOL696-71-9N948SW87NYNSC-60162DTXSID80219875RefChem:129807DTXCID30142366211-800-6Cyclooctyl alcoholMFCD00001744EINECS 211-800-6NSC 60162

Show more names

Cyclooctane-1-olCyclooctanol,99%Cyclooctanol >1-HydroxycyclooctaneCYCLOOCTANOL FOR SYNTHESIS 25 MLBunan Selin Impurity IIb-2 (Cyclooctanol)

UNII-N948SW87NYSCHEMBL40903SCHEMBL102554CHEMBL457729SCHEMBL1266528SCHEMBL1378195SCHEMBL2535651SCHEMBL2537154

Database identifiers

CAS: 696-71-9
PubChem CID: 12766
DTXSID: DTXSID80219875
ChEMBL: CHEMBL457729
UNII: N948SW87NY
EC Number: 211-800-6
Nikkaji: J31.679B

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 63

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

LogP2.39

Physicochemical properties

Melting point: 14 · 14-15 °C(lit.)
Boiling point: 106 · 106-108 °C22 mm Hg(lit.)
Density: 0.974 g/mL · 0.974 g/mL at 25 °C(lit.)
vapor pressure: 0.1 hPa · 0.1 hPa
refractive index: 20 · n20/D 1.486(lit.)
Flash point: 187 °F · 187 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Miscible with acetone.
pka: 15.31 · 15.31±0.20(Predicted)
form: powder to lump to clear liquid
color: White or Colorless to Almost white or Almost colorless

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (13.3%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.