(3Z)-hex-3-ene

• ChemBase ID: 152716
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CC/C=C\CC
• Canonical SMILES: CC/C=C\CC
• InChI: InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-
• InChIKey: ZQDPJFUHLCOCRG-WAYWQWQTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3Z)-hex-3-ene
• IUPAC Traditional name: (3Z)-hex-3-ene
• Synonyms: cis-3-Hexene; 顺-3-己烯; 顺式-3-己烯

Database IDs

• CAS Number: 7642-09-3
• MDL Number: MFCD00085300
• Beilstein Number: 1718858
• PubChem SID: 162246859; 24877713
• PubChem CID: 643783

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7692163
• LogD (pH = 7.4): 2.7692163
• Log P: 2.7692163
• Molar Refractivity: 30.5248 cm^3
• Polarizability: 11.603333 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 66-68 °C(lit.); 66-68°C
• Flash Point: -13 °F; -25 °C; -25°C(-13°F)
• Density: 0.681; 0.681 g/mL at 20 °C(lit.)
• Refractive Index: 1.395; n20/D 1.395

Safety Information

• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36-65; 11-65
• Safety Statements: 23-36-62; 26-62
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304; H225-H304-H319
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P301 + P310-P305 + P351 + P338-P331
• 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: ≥95.0%; 97%
• Empirical Formula (Hill Notation): C6H12

DETAILS

Sigma Aldrich - 52985

Packaging
1, 5 mL in glass bottle