ethenyl decanoate

• ChemBase ID: 148283
• Molecular Formular: C12H22O2
• Molecular Mass: 198.30188
• Monoisotopic Mass: 198.16197994
• SMILES: CCCCCCCCCC(=O)OC=C
• Canonical SMILES: CCCCCCCCCC(=O)OC=C
• InChI: InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3
• InChIKey: CMDXMIHZUJPRHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl decanoate
• IUPAC Traditional name: ethenyl decanoate
• Synonyms: Vinyl decanoate; 癸酸乙烯酯

Database IDs

• CAS Number: 4704-31-8
• EC Number: 225-185-7
• MDL Number: MFCD00027349
• PubChem SID: 162242459; 24865766
• PubChem CID: 62140

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2397394
• LogD (pH = 7.4): 4.2397394
• Log P: 4.2397394
• Molar Refractivity: 57.9389 cm^3
• Polarizability: 23.35703 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 119-120 °C/10 mmHg(lit.)
• Flash Point: 104 °C; 219.2 °F
• Density: 0.886 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.435(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: >99%
• Contains: monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH3(CH2)8CO2CH=CH2

DETAILS

Sigma Aldrich - 411795

Packaging
10 g in glass bottle