ethenylcyclooctane

• ChemBase ID: 152729
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: C=CC1CCCCCCC1
• Canonical SMILES: C=CC1CCCCCCC1
• InChI: InChI=1S/C10H18/c1-2-10-8-6-4-3-5-7-9-10/h2,10H,1,3-9H2
• InChIKey: UPHVHMSLLBDZEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenylcyclooctane
• IUPAC Traditional name: ethenylcyclooctane
• Synonyms: Vinylcyclooctane; 乙烯基环辛烷

Database IDs

• CAS Number: 61142-41-4
• EC Number: 262-623-6
• MDL Number: MFCD00001750
• Beilstein Number: 4364365
• PubChem SID: 24889966; 162246872
• PubChem CID: 93331

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.984149
• LogD (pH = 7.4): 3.984149
• Log P: 3.984149
• Molar Refractivity: 46.0017 cm^3
• Polarizability: 18.241005 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 21 °C; 69.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H410
• GHS Precautionary statements: P210-P273-P501
• 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

Product Information

• Purity: ≥99.0%
• Empirical Formula (Hill Notation): C10H18