ethyl hexadec-9-enoate

• ChemBase ID: 104474
• Molecular Formular: C18H34O2
• Molecular Mass: 282.46136
• Monoisotopic Mass: 282.25588033
• SMILES: CCCCCC/C=C/CCCCCCCC(=O)OCC
• Canonical SMILES: CCCCCC/C=C/CCCCCCCC(=O)OCC
• InChI: InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3
• InChIKey: JELGPLUONQGOHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl hexadec-9-enoate; ethyl (9E)-hexadec-9-enoate
• IUPAC Traditional name: ethyl hexadec-9-enoate; ethyl (9E)-hexadec-9-enoate
• Synonyms: Ethyl palmitoleate; PALMITOLEIC ACID ETHYL ESTER; Ethyl trans-9-hexadecenoate; Palmitelaidic acid ethyl ester; Ethyl palmitelaidate

Database IDs

• CAS Number: 68862-27-1; 56219-10-4
• EC Number: 260-065-8
• MDL Number: MFCD00070025
• PubChem SID: 162091053; 24899010
• PubChem CID: 5364759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.397363
• LogD (pH = 7.4): 6.397363
• Log P: 6.397363
• Molar Refractivity: 87.7179 cm^3
• Polarizability: 34.42631 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ~99%; 99%

DETAILS

MP Biomedicals - 02156046

Purity: 99%

Sigma Aldrich - P9134

包装
Sealed ampule.