1-ethenylcyclohexan-1-ol

• ChemBase ID: 148742
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: C=CC1(CCCCC1)O
• Canonical SMILES: C=CC1(O)CCCCC1
• InChI: InChI=1S/C8H14O/c1-2-8(9)6-4-3-5-7-8/h2,9H,1,3-7H2
• InChIKey: ZXKHOVDDJMJXQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenylcyclohexan-1-ol
• IUPAC Traditional name: cyclohexanol, 1-vinyl-
• Synonyms: 1-Vinyl cyclohexanol; 1-乙烯基环己醇

Database IDs

• CAS Number: 1940-19-8
• EC Number: 217-718-7
• MDL Number: MFCD01734994
• PubChem SID: 162242917; 24879518
• PubChem CID: 74741

CALCULATED PROPERTIES

• Acid pKa: 18.83835
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9357119
• LogD (pH = 7.4): 1.935712
• Log P: 1.935712
• Molar Refractivity: 38.3278 cm^3
• Polarizability: 15.119015 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74 °C/19 mmHg(lit.)
• Flash Point: 158 °F; 70 °C
• Density: 0.942 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.478(lit.)

Safety Information

• RTECS: GW0890000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: H2C=CHC6H10OH

DETAILS

Sigma Aldrich - 556084

Packaging
5 g in glass bottle