(2E)-hex-2-ene

• ChemBase ID: 144942
• 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-HWKANZROSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-hex-2-ene; hex-2-ene
• IUPAC Traditional name: 2-hexene (trans); 2-hexene
• Synonyms: trans-2-Hexene; 2-Hexene; 2-Hexene (cis+trans); 反-2-己烯; 2-己烯; 2-己烯（顺反异构体混合物）; 反式-2-己烯

Database IDs

• CAS Number: 592-43-8; 4050-45-7
• EC Number: 223-752-3; 209-755-2
• MDL Number: MFCD00009473
• Beilstein Number: 1719020; 969179
• PubChem SID: 24877697; 24877693; 162239154; 24846863; 24871322
• PubChem CID: 639661

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

• Melting Point: -98.5--98 °C(lit.); -99°C
• Boiling Point: 67-69 °C(lit.); 68-69 °C(lit.); 68-69°C
• Flash Point: -13 °F; -20 °C; -20°C(-4°F); -25 °C; -4 °F
• Auto Ignition Point: 473 °F
• Density: 0.669 g/mL at 25 °C(lit.); 0.674; 0.678 g/mL at 25 °C(lit.); 0.680 g/mL at 20 °C(lit.)
• Refractive Index: 1.3940; n20/D 1.393(lit.); n20/D 1.394; n20/D 1.395(lit.); n20/D 1.396
• Vapor Pressure: 263 mmHg ( 37.7 °C)
• Vapor Density: 1 (vs air)

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: 11-36/37/38-65; 11-65
• Safety Statements: 9-16-23-26-29-33-36-62; 9-16-23-29-33-62; 9-16-29-33-62
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304; H225-H304-H315-H319-H335
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P261-P301 + P310-P305 + P351 + P338-P331; P210-P301 + P310-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% (GC); ≥98.0% (GC); 85%; 97%; 99%
• Grade: purum; technical grade
• Linear Formula: CH3CH=CHCH2CH2CH3; CH3CH2CH2CH=CHCH3

DETAILS

Sigma Aldrich - 477001

Packaging
5, 10 g in glass bottle

Sigma Aldrich - 110892

Packaging
1, 5, 10 g in ampule