(10Z)-nonadec-10-enoic acid

• ChemBase ID: 132896
• Molecular Formular: C19H36O2
• Molecular Mass: 296.48794
• Monoisotopic Mass: 296.27153039
• SMILES: CCCCCCCC/C=C\CCCCCCCCC(=O)O
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCCCC(=O)O
• InChI: InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h9-10H,2-8,11-18H2,1H3,(H,20,21)/b10-9-
• InChIKey: BBOWBNGUEWHNQZ-KTKRTIGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (10Z)-nonadec-10-enoic acid
• IUPAC Traditional name: (10Z)-nonadec-10-enoic acid
• Synonyms: cis-10-Nonadecenoic acid

Database IDs

• CAS Number: 73033-09-7
• MDL Number: MFCD00133177
• PubChem SID: 24897674; 162227173
• PubChem CID: 5312513

CALCULATED PROPERTIES

• Acid pKa: 5.0211167
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.6253715
• LogD (pH = 7.4): 4.8773403
• Log P: 7.2283673
• Molar Refractivity: 92.0032 cm^3
• Polarizability: 36.010624 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• 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: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥99%

DETAILS

Sigma Aldrich - N6394

包装
Sealed ampule.