ethenylcyclohexane

• ChemBase ID: 75344
• Molecular Formular: C8H14
• Molecular Mass: 110.19676
• Monoisotopic Mass: 110.10955045
• SMILES: C=CC1CCCCC1
• Canonical SMILES: C=CC1CCCCC1
• InChI: InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2
• InChIKey: LDLDYFCCDKENPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenylcyclohexane
• IUPAC Traditional name: cyclohexane, ethenyl-
• Synonyms: Vinylcyclohexane; Cyclohexylethylene; Vinylcyclohexane; 1-Vinylcyclohexane; 环己基乙烯; 乙烯基环己烷

Database IDs

• CAS Number: 695-12-5
• EC Number: 211-779-3
• MDL Number: MFCD00001514
• Beilstein Number: 1304663
• PubChem SID: 24847029; 24861330; 162040262; 24889963
• PubChem CID: 12757

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0950117
• LogD (pH = 7.4): 3.0950117
• Log P: 3.0950117
• Molar Refractivity: 36.7997 cm^3
• Polarizability: 14.547113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 127-128°C; 128 °C(lit.)
• Flash Point: 21 °C; 22°C(71°F); 69.8 °F; 70 °F
• Density: 0.805; 0.805 g/mL at 25 °C(lit.)
• Refractive Index: 1.4465; n20/D 1.446; n20/D 1.446(lit.)

Safety Information

• RTECS: GV7800000
• European Hazard Symbols: X
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 10; 10-65
• Safety Statements: 23-36-62
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H304
• GHS Precautionary statements: P210; P210-P241-P301+P310-P303+P361+P353-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); ≥99%; 97%; 98%
• Grade: purum
• Linear Formula: C6H11CH=CH2

DETAILS

MP Biomedicals - 05219922

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 111406

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 345520

Packaging
25 g in glass bottle