hept-1-ene

• ChemBase ID: 73704
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: C=CCCCCC
• Canonical SMILES: CCCCCC=C
• InChI: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
• InChIKey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hept-1-ene
• IUPAC Traditional name: heptene
• Synonyms: 1-Heptene; 1-HEPTENE; Hept-1-ene; Heptene; 1-庚烯

Database IDs

• CAS Number: 592-76-7
• EC Number: 209-767-8
• MDL Number: MFCD00009531
• Beilstein Number: 1098332
• PubChem SID: 24855870; 24874030; 24895562; 162038623
• PubChem CID: 11610
• Chemspider ID: 11121
• Wikipedia Title: Heptene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2717185
• LogD (pH = 7.4): 3.2717185
• Log P: 3.2717185
• Molar Refractivity: 34.0533 cm^3
• Polarizability: 13.44952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -119 °C(lit.); -119°C; -120 - -119°C; ca -119°C
• Boiling Point: 93-94°C; 93-94°C; 94 °C(lit.); 94°C
• Flash Point: 15.8 °F; -8°C; -8°C(17°F); -9 °C
• Auto Ignition Point: 505 °F
• Density: 0.697; 0.697 g/mL; 0.697 g/mL at 25 °C(lit.)
• Refractive Index: 1.4; 1.400; n20/D 1.400; n20/D 1.400(lit.)
• Vapor Pressure: 101 mmHg ( 37.7 °C)
• Hydrophobicity(logP): 3.913

Safety Information

• Storage Warning: Highly Flammable/Harmful/Irritant
• RTECS: MJ8840000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 2278; UN2278
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38-65; R11 R36/37/38 R65
• Safety Statements: 16-26-36-62; 26-37; S16 S26 S36 S62
• TSCA Listed: 是
• 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; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2278 3/PG 2

Product Information

• Purity: ≥90% (GC); ≥99%; ≥99.0% (GC); ≥99.5% (GC); 95%; 97%; 98+%
• Grade: analytical standard; puriss.; technical
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)4CH=CH2

DETAILS

MP Biomedicals - 05202567

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H3208

Packaging
5 g in ampule

Sigma Aldrich - 262269

Packaging
25, 100 mL in glass bottle