(4Z)-oct-4-ene

• ChemBase ID: 303695
• Molecular Formular: C8H16
• Molecular Mass: 112.21264
• Monoisotopic Mass: 112.12520051
• SMILES: CCC/C=C\CCC
• Canonical SMILES: CCC/C=C\CCC
• InChI: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-
• InChIKey: IRUCBBFNLDIMIK-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-oct-4-ene
• IUPAC Traditional name: (4Z)-oct-4-ene
• Synonyms: cis-4-Octene; 顺-4-辛烯

Database IDs

• CAS Number: 7642-15-1
• EC Number: 231-578-4
• MDL Number: MFCD00067484

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6583536
• LogD (pH = 7.4): 3.6583536
• Log P: 3.6583536
• Molar Refractivity: 39.7268 cm^3
• Polarizability: 15.295921 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3295
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%