(4E)-dec-4-ene

• ChemBase ID: 156805
• Molecular Formular: C10H20
• Molecular Mass: 140.2658
• Monoisotopic Mass: 140.15650064
• SMILES: CCCCC/C=C/CCC
• Canonical SMILES: CCCCC/C=C/CCC
• InChI: InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h7,9H,3-6,8,10H2,1-2H3/b9-7+
• InChIKey: SOVOPSCRHKEUNJ-VQHVLOKHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-dec-4-ene
• IUPAC Traditional name: 4-decene
• Synonyms: trans-4-Decene; 反式-4-癸烯

Database IDs

• CAS Number: 19398-89-1
• EC Number: 243-034-3
• MDL Number: MFCD00039979
• Beilstein Number: 1839934
• PubChem SID: 162250942
• PubChem CID: 5364458

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.547491
• LogD (pH = 7.4): 4.547491
• Log P: 4.547491
• Molar Refractivity: 48.9288 cm^3
• Polarizability: 18.989107 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 168-170 °C(lit.)
• Flash Point: 113 °F; 45 °C
• Density: 0.740 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.424

Safety Information

• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• 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: ≥99.0% (GC)
• Grade: puriss.
• Linear Formula: CH3(CH2)4CH=CHCH2CH2CH3