(2E)-non-2-ene

• ChemBase ID: 137625
• Molecular Formular: C9H18
• Molecular Mass: 126.23922
• Monoisotopic Mass: 126.14085058
• SMILES: CCCCCC/C=C/C
• Canonical SMILES: CCCCCC/C=C/C
• InChI: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+
• InChIKey: IICQZTQZQSBHBY-HWKANZROSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-non-2-ene
• IUPAC Traditional name: (2E)-non-2-ene
• Synonyms: trans-2-Nonene; 反式-2-壬烯

Database IDs

• CAS Number: 6434-78-2
• EC Number: 229-216-5
• MDL Number: MFCD00009549
• PubChem SID: 162231887
• PubChem CID: 5364590

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: 144-145 °C(lit.)
• Flash Point: 32 °C; 89.6 °F
• Density: 0.734 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.42(lit.)

Safety Information

• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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

Product Information

• Purity: 99%
• Linear Formula: CH3(CH2)5CH=CHCH3