pent-2-ene

• ChemBase ID: 92110
• Molecular Formular: C5H10
• Molecular Mass: 70.1329
• Monoisotopic Mass: 70.07825032
• SMILES: C/C=C/CC
• Canonical SMILES: CC/C=C/C
• 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; (2E)-pent-2-ene
• IUPAC Traditional name: 2-pentene; trans-2-pentene
• Synonyms: 2-Pentene; 2-Pentene, cis + trans; Pent-2-ene; trans-2-Pentene; 2-戊烯; 2-戊烯,顺式+反式; 反-2-戊烯; 反式-2-戊烯

Database IDs

• CAS Number: 646-04-8; 109-68-2
• EC Number: 211-461-4; 203-695-0
• MDL Number: MFCD00009384
• Beilstein Number: 969151; 1718795
• Merck Index: 147123
• PubChem SID: 24847019; 162078808
• PubChem CID: 5326161

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: -136°C; -140 °C(lit.)
• Boiling Point: 36-37 °C(lit.); 36-37°C; 36-38°C; 37 °C(lit.)
• Flash Point: -.4 °F; -18 °C; -45 °C; -45°C(-49°F); -49 °F
• Density: 0.647 g/mL at 20 °C; 0.649; 0.649 g/mL at 25 °C(lit.); 0.650; 0.651 g/mL at 20 °C(lit.)
• Refractive Index: 1.3790; 1.38; n20/D 1.379; n20/D 1.379(lit.); n20/D 1.381
• Vapor Pressure: 8.17 psi ( 20 °C)

Safety Information

• RTECS: SB2184500
• 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: 16-23-36-62; 3-9-16-26-29-33-62; 9-16-26-29-33-36-62
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H304-H315-H319-H335; 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
• 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: ≥98.5% (GC); ≥99.0% (GC); 98%; 99%
• Grade: analytical standard; puriss.; purum
• Packaging: ampule of 1000 mg
• Linear Formula: C2H5CH=CHCH3; CH3CH2CH=CHCH3

DETAILS

Apollo Scientific Ltd - OR8524

Mixture of cis/trans isomers

Sigma Aldrich - 111260

Packaging
1, 5, 10 g in ampule