methyl tetradec-9-enoate

• ChemBase ID: 104388
• Molecular Formular: C15H28O2
• Molecular Mass: 240.38162
• Monoisotopic Mass: 240.20893014
• SMILES: CCCC/C=C/CCCCCCCC(=O)OC
• Canonical SMILES: CCCC/C=C/CCCCCCCC(=O)OC
• InChI: InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3
• InChIKey: RWIPSJUSVXDVPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl tetradec-9-enoate
• IUPAC Traditional name: methyl tetradec-9-enoate
• Synonyms: Methyl cis-9-tetradecenoate; Myristoleic acid methyl ester; Methyl myristoleate; Methyl trans-9-tetradecenoate; Myristelaidic acid methyl ester; Methyl myristelaidate; MYRISTOLEIC ACID METHYL ESTER; 肉豆蔻烯酸甲酯; 顺-9-十四碳烯酸甲酯; 肉豆蔻脑酸甲酯; 反-9-十四烯酸甲酯; 反-9-十四碳烯酸甲酯; 反-肉豆蔻烯酸甲酯

Database IDs

• CAS Number: 72025-18-4; 56219-06-8
• MDL Number: MFCD00056299; MFCD00133548
• Beilstein Number: 2046023; 5251691
• PubChem SID: 162092479; 24886045; 24886055
• PubChem CID: 6301244

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1514177
• LogD (pH = 7.4): 5.1514177
• Log P: 5.1514177
• Molar Refractivity: 73.7673 cm^3
• Polarizability: 28.89051 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.446

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• GHS Hazard statements: H413
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (GC); ≥98.5% (GC); 99%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C15H28O2

DETAILS

MP Biomedicals - 02155761

Purity: 99% Sealed ampule (liquid).