ethylidenecyclohexane

• ChemBase ID: 111291
• Molecular Formular: C8H14
• Molecular Mass: 110.19676
• Monoisotopic Mass: 110.10955045
• SMILES: CC=C1CCCCC1
• Canonical SMILES: CC=C1CCCCC1
• InChI: InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3
• InChIKey: BPBOWYWUOUJKLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylidenecyclohexane
• IUPAC Traditional name: cyclohexane, ethylidene-
• Synonyms: Ethylidenecyclohexane; ETHYLIDENECYCLOHEXANE; 亚乙基环己烷

Database IDs

• CAS Number: 1003-64-1
• EC Number: 213-711-8
• MDL Number: MFCD00001662
• PubChem SID: 24847003; 162096596
• PubChem CID: 13856

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9934204
• LogD (pH = 7.4): 2.9934204
• Log P: 2.9934204
• Molar Refractivity: 37.6056 cm^3
• Polarizability: 14.547113 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 136 °C(lit.)
• Flash Point: 24 °C; 75.2 °F
• Density: 0.822 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.462(lit.)

Safety Information

• RTECS: GV2470000
• European Hazard Symbols: Flammable (F)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10; R:18
• Safety Statements: 16-29-33; S:29
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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 3

Product Information

• Purity: 99%
• Linear Formula: C6H10(=CHCH3)

DETAILS

MP Biomedicals - 05218540

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 110779

Packaging
10 g in glass bottle