non-4-ene

• ChemBase ID: 79673
• Molecular Formular: C9H18
• Molecular Mass: 126.23922
• Monoisotopic Mass: 126.14085058
• SMILES: CCCC/C=C/CCC
• Canonical SMILES: CCCC/C=C/CCC
• InChI: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3
• InChIKey: KPADFPAILITQBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-4-ene
• IUPAC Traditional name: non-4-ene
• Synonyms: non-4-ene; 4-Nonene (cis+trans); 4-Nonene; 4-壬烯（顺式和反式）; 4-壬烯

Database IDs

• CAS Number: 2198-23-4
• EC Number: 218-595-2
• MDL Number: MFCD00009507
• Beilstein Number: 1733773
• PubChem SID: 162044436; 24866220
• PubChem CID: 5364454

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1029224
• LogD (pH = 7.4): 4.1029224
• Log P: 4.1029224
• Molar Refractivity: 44.3278 cm^3
• Polarizability: 17.142464 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 144-146 °C(lit.)
• Flash Point: 30 °C; 86 °F
• Density: 0.728 g/mL at 20 °C(lit.); 0.732 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.419; n20/D 1.419(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-65
• Safety Statements: 16-62
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H304
• GHS Precautionary statements: 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 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 95%
• Grade: purum
• Linear Formula: CH3(CH2)3CH=CHCH2CH2CH3

DETAILS

Sigma Aldrich - 418358

Packaging
25 mL in glass bottle