(3Z)-hept-3-ene

• ChemBase ID: 138236
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: CCC/C=C\CC
• Canonical SMILES: CCC/C=C\CC
• InChI: InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-
• InChIKey: WZHKDGJSXCTSCK-ALCCZGGFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-hept-3-ene
• IUPAC Traditional name: (3Z)-hept-3-ene
• Synonyms: cis-3-Heptene; 顺式-3-庚烯

Database IDs

• CAS Number: 7642-10-6
• MDL Number: MFCD00064460
• PubChem SID: 162232494; 24855653
• PubChem CID: 5357258

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.213785
• LogD (pH = 7.4): 3.213785
• Log P: 3.213785
• Molar Refractivity: 35.1258 cm^3
• Polarizability: 13.44952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95.7 °C(lit.)
• Flash Point: 19.4 °F; -7 °C
• Density: 0.703 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.406(lit.)
• Vapor Pressure: 96 mmHg ( 37.7 °C)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36
• Safety Statements: 3-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319
• GHS Precautionary statements: P210-P305 + P351 + P338
• 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: 96%
• Linear Formula: CH3CH2CH2CH=CHC2H5