4-(ethenyloxy)butyl octadecanoate

• ChemBase ID: 138016
• Molecular Formular: C24H46O3
• Molecular Mass: 382.62024
• Monoisotopic Mass: 382.34469533
• SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCOC=C
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCOC=C
• InChI: InChI=1S/C24H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(25)27-23-20-19-22-26-4-2/h4H,2-3,5-23H2,1H3
• InChIKey: BMMJLSUJRGRSFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethenyloxy)butyl octadecanoate
• IUPAC Traditional name: 4-(ethenyloxy)butyl octadecanoate
• Synonyms: VEctomer® 3080; 4-(Vinyloxy)butyl stearate; 4-(乙烯氧基)硬脂酸丁酯

Database IDs

• CAS Number: 209072-71-9
• MDL Number: MFCD01863728
• PubChem SID: 162232275; 24873775
• PubChem CID: 4682240

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.326635
• LogD (pH = 7.4): 8.326635
• Log P: 8.326635
• Molar Refractivity: 115.3004 cm^3
• Polarizability: 46.16619 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 40-44 °C(lit.)
• Flash Point: 143 °C; 289.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)16CO2(CH2)4OCH=CH2

DETAILS

Sigma Aldrich - 514845

Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.