cyclohexylmethanol

• ChemBase ID: 109811
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: OCC1CCCCC1
• Canonical SMILES: OCC1CCCCC1
• InChI: InChI=1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
• InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexylmethanol
• IUPAC Traditional name: cyclohexanemethanol
• Synonyms: CYCLOHEXYL CARBINOL; Cyclohexylmethanol; Cyclohexanemethanol; (Hydroxymethyl)cyclohexane; Cyclohexyl methanol; Hexahydrobenzyl alcohol; Cyclohexanemethanol; (羟甲基)环己烷; 六氢苯甲醇; 环己基甲醇; 环己甲醇

Database IDs

• CAS Number: 100-49-2
• EC Number: 202-857-8
• MDL Number: MFCD00001510
• Beilstein Number: 773712
• PubChem SID: 162096309; 24879554; 24891964
• PubChem CID: 7507

CALCULATED PROPERTIES

• Acid pKa: 17.643066
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5957062
• LogD (pH = 7.4): 1.5957062
• Log P: 1.5957062
• Molar Refractivity: 34.0063 cm^3
• Polarizability: 13.512976 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 181 °C(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 0.928 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.464; n20/D 1.465(lit.)
• Hydrophobicity(logP): 1.886

Safety Information

• RTECS: GV5075000
• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥95.0% (GC); ≥99%; 95%; 97%; 98%; 99%
• Grade: purum; ReagentPlus®
• Linear Formula: C6H11CH2OH

DETAILS

MP Biomedicals - 05212673

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C105805

Packaging
25, 100 g in poly bottle
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC