icos-1-ene

• ChemBase ID: 104965
• Molecular Formular: C20H40
• Molecular Mass: 280.5316
• Monoisotopic Mass: 280.31300128
• SMILES: CCCCCCCCCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCCCCCCCCC=C
• InChI: InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3
• InChIKey: VAMFXQBUQXONLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icos-1-ene
• IUPAC Traditional name: 1-eicosene
• Synonyms: 1-Eicosene; 1-EICOSENE; 1-二十烯

Database IDs

• CAS Number: 3452-07-1
• EC Number: 222-374-6
• MDL Number: MFCD00009013
• Beilstein Number: 1768357
• PubChem SID: 162093076; 24868430; 24851113; 24867765
• PubChem CID: 18936

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.051111
• LogD (pH = 7.4): 9.051111
• Log P: 9.051111
• Molar Refractivity: 93.8663 cm^3
• Polarizability: 37.457733 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 26-30 °C(lit.)
• Boiling Point: 151 °C/1.5 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F

Safety Information

• Storage Condition: 2-8°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~90% (GC); >85%; 80%
• Grade: analytical standard; technical; technical grade
• Packaging: ampule of 1000 mg
• Linear Formula: CH2=CH(CH2)17CH3

DETAILS

MP Biomedicals - 02157909

Purity: >85%
Crystalline

Sigma Aldrich - 184411

Packaging
50 g in glass bottle