pent-1-ene

• ChemBase ID: 89747
• Molecular Formular: C5H10
• Molecular Mass: 70.1329
• Monoisotopic Mass: 70.07825032
• SMILES: CCCC=C
• Canonical SMILES: CCCC=C
• InChI: InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
• InChIKey: YWAKXRMUMFPDSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pent-1-ene
• IUPAC Traditional name: pentene
• Synonyms: 1-Pentene; n-Amylene; 1-Pentene 98%; 1-PENTENE; 1-戊烯

Database IDs

• CAS Number: 109-67-1
• EC Number: 203-694-5
• MDL Number: MFCD00003567
• Beilstein Number: 1731629
• Merck Index: 147122
• PubChem SID: 24887095; 24859735; 24887096; 162076603; 24854526
• PubChem CID: 8004

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3825812
• LogD (pH = 7.4): 2.3825812
• Log P: 2.3825812
• Molar Refractivity: 24.8513 cm^3
• Polarizability: 9.757488 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -138°C; -138°C
• Boiling Point: 29°C; 29.9-30.1 °C(lit.); 29-31°C; 30-31°C
• Flash Point: -28°C; -51 °C; -51°C(-60°F); -59.8 °F; -60 °F
• Auto Ignition Point: 522 °F
• Density: 0.64; 0.640; 0.640 g/ml; 0.641 g/mL at 25 °C(lit.)
• Refractive Index: 1.3715; n20/D 1.371; n20/D 1.371(lit.); n20/D 1.372
• Vapor Pressure: 10.27 psi ( 20 °C)
• Vapor Density: 2.4 (vs air)

Safety Information

• Storage Warning: Irritant/Extremely Flammable/Keep Cold
• RTECS: SB2179000
• European Hazard Symbols: Highly flammable (F+); X; Harmful (Xn)
• UN Number: 1108; UN1108
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; I
• Risk Statements: 12-52/53-65; 12-65; R:12
• Safety Statements: 3-9-16-29-33-62; 61-62; S:3-9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• Explode Limits: 8.7 %
• GHS Hazard statements: H224-H304; H224-H304-H315-H319
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-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 1108 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (GC); ≥98.5% (GC); ≥99.5% (GC); 90%; 97%; 98%; 99%
• Grade: analytical standard; technical
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3CH2CH2CH=CH2

DETAILS

MP Biomedicals - 05216505

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 241997

Packaging
25 g in glass bottle

Sigma Aldrich - 328421

Packaging
250 mL in Sure/Seal™

Sigma Aldrich - 76971

Packaging
25, 100 mL in glass bottle