pent-2-ene

• ChemBase ID: 146119
• Molecular Formular: C5H10
• Molecular Mass: 70.1329
• Monoisotopic Mass: 70.07825032
• SMILES: CCC=CC
• Canonical SMILES: CCC=CC
• InChI: InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3
• InChIKey: QMMOXUPEWRXHJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pent-2-ene; (2Z)-pent-2-ene
• IUPAC Traditional name: 2-pentene; cis-2-pentene
• Synonyms: 2-Pentene (mixture of cis and trans); cis-2-Pentene; 2-戊烯，顺反异构体混合物; 顺-2-戊烯

Database IDs

• CAS Number: 627-20-3; 109-68-2
• EC Number: 203-695-0; 210-988-7
• MDL Number: MFCD00009384; MFCD00063978
• Beilstein Number: 969151; 1718794
• PubChem SID: 162240318; 24887097; 24848609; 24848610
• PubChem CID: 12585

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3246477
• LogD (pH = 7.4): 2.3246477
• Log P: 2.3246477
• Molar Refractivity: 25.9238 cm^3
• Polarizability: 9.757488 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -180 °C(lit.)
• Boiling Point: 37 °C(lit.); 37-38 °C(lit.)
• Flash Point: -.4 °F; -18 °C; -45 °C; -49 °F
• Density: 0.65 g/mL at 25 °C(lit.); 0.657 g/mL at 20 °C
• Refractive Index: n20/D 1.38(lit.); n20/D 1.382; n20/D 1.382(lit.)
• Vapor Pressure: 8.06 psi ( 20 °C); 8.17 psi ( 20 °C)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38-65
• Safety Statements: 9-16-26-29-33-36-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H319-H335
• GHS Precautionary statements: P210-P261-P301 + P310-P305 + P351 + P338-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3295 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: C2H5CH=CHCH3; CH3CH2CH=CHCH3

DETAILS

Sigma Aldrich - 143766

Packaging
1, 10 g in ampule

Sigma Aldrich - 143774

Packaging
25, 100 g in glass bottle