methyl octadec-11-enoate

• ChemBase ID: 105043
• Molecular Formular: C19H36O2
• Molecular Mass: 296.48794
• Monoisotopic Mass: 296.27153039
• SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)OC
• Canonical SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)OC
• InChI: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3
• InChIKey: PVVODBCDJBGMJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl octadec-11-enoate; methyl (11E)-octadec-11-enoate
• IUPAC Traditional name: methyl octadec-11-enoate; methyl (11E)-octadec-11-enoate
• Synonyms: 11-cis-Octadecenoic acid methyl ester; Methyl cis-11-octadecenoate; cis-VACCENIC ACID METHYL ESTER; trans-VACCENIC ACID METHYL ESTER; trans-11-Octadecenoic acid methyl ester; Methyl trans-11-octadecenoate; Methyl trans-vaccenate

Database IDs

• CAS Number: 1937-63-9; 6198-58-9
• EC Number: 228-251-3; 217-714-5
• MDL Number: MFCD00064484
• PubChem SID: 24900716; 162092310
• PubChem CID: 5364432

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9296927
• LogD (pH = 7.4): 6.9296927
• Log P: 6.9296927
• Molar Refractivity: 92.1713 cm^3
• Polarizability: 36.271923 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Flash Point: 143.6 °F; 62 °C

Safety Information

• Storage Condition: 2-8°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥99% (capillary GC); 98%; 99%

DETAILS

MP Biomedicals - 02158257

Purity: 98%
Liquid

MP Biomedicals - 02158258

Purity: 99%
Liquid

Sigma Aldrich - V1381

包装
Sealed ampule.