(2Z)-hex-2-ene

• ChemBase ID: 150164
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CCC/C=C\C
• Canonical SMILES: CCC/C=C\C
• InChI: InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
• InChIKey: RYPKRALMXUUNKS-HYXAFXHYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-hex-2-ene
• IUPAC Traditional name: 2-hexene (Z)
• Synonyms: cis-2-Hexene; 顺-2-己烯; 顺式-2-己烯

Database IDs

• CAS Number: 7688-21-3
• EC Number: 231-697-1
• MDL Number: MFCD00066520
• Beilstein Number: 1719019
• PubChem SID: 24877687; 24878336; 162244325
• PubChem CID: 643835

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: 68-70 °C(lit.); 68-70°C
• Flash Point: -13 °F; -25 °C; -25°C(-13°F)
• Density: 0.669; 0.669 g/mL at 25 °C(lit.)
• Refractive Index: 1.396; n20/D 1.396(lit.); n20/D 1.398

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36; 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 95%; 96%
• Grade: purum
• Linear Formula: CH3CH2CH2CH=CHCH3

DETAILS

Sigma Aldrich - 538493

Packaging
1, 5 g in ampule