52985

cis-3-Hexene

≥95.0%

• Empirical Formula (Hill Notation): C₆H₁₂
• CAS Number: 7642-09-3
• Molecular Weight: 84.16
• Beilstein: 1718858
• MDL number: MFCD00085300
• UNSPSC Code: 12352100
• PubChem Substance ID: 57651395
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: ≥95.0%
• refractive index: n20/D 1.395
• bp: 66-68 °C (lit.)
• density: 0.681 g/mL at 20 °C (lit.)
• SMILES string: CC\C=C/CC
• InChI: 1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-
• InChI key: ZQDPJFUHLCOCRG-WAYWQWQTSA-N

Description

General description

cis-3-Hexene is a symmetrical cis-disubstituted alkene that can be prepared by the hydroboration of 3-hexyne followed by protonolysis. The gas-phase study of its molecular structure by electron diffraction combined with molecular mechanical calculations reveals the presence of the (+ac, +ac) and the (-ac, +ac) forms. cis-3-Hexene undergoes epoxidation with dimethyldioxirane to form the corresponding epoxide.

Application

cis-3-Hexene may be used in the preparation of 3-hexanol via asymmetric hydroboration with diisopinocampheylborane (Ipc₂BH).

Safety Information

• Pictograms: GHS02,GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H304,H319
• Precautionary Statements: P210 - P233 - P240 - P301 + P310 - P305 + P351 + P338 - P331
• Hazard Classifications: Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): -13.0 °F - closed cup
• Flash Point(C): -25 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves