(9Z)-hexadec-9-enoic acid

• ChemBase ID: 128806
• Molecular Formular: C16H30O2
• Molecular Mass: 254.4082
• Monoisotopic Mass: 254.2245802
• SMILES: O=C(O)CCCCCCC/C=C\CCCCCC
• Canonical SMILES: CCCCCC/C=C\CCCCCCCC(=O)O
• InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
• InChIKey: SECPZKHBENQXJG-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-hexadec-9-enoic acid
• IUPAC Traditional name: palmitoleic acid
• Synonyms: Palmitoleic acid; Palmitoleic acid; cis-Palmitoleic acid; 9-cis-Hexadecenoic acid; C16:1 (Lipid numbers); Palmitoleic acid; 顺-9-十六烯酸; 棕榈油酸

Database IDs

• CAS Number: 373-49-9
• EC Number: 206-765-9
• MDL Number: MFCD00004437
• Beilstein Number: 1725389
• PubChem SID: 24899035; 162223110
• PubChem CID: 445638
• Chemspider ID: 393216
• Wikipedia Title: Palmitoleic_acid

CALCULATED PROPERTIES

• Acid pKa: 4.9881673
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.266728
• LogD (pH = 7.4): 3.5130713
• Log P: 5.894661
• Molar Refractivity: 78.2002 cm^3
• Polarizability: 30.475595 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: -0.1 °C; 0.5 °C(lit.)
• Boiling Point: 162 °C/0.6 mmHg(lit.)
• Flash Point: 143.6 °F; 62 °C
• Density: 0.894 g/cm3; 0.895 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.457(lit.)

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.5% (GC)
• Quality Level: PREMIUM

DETAILS

Sigma Aldrich - P9417

Biochem/physiol Actions
Palmitoleic acid is a 16-carbon, omega-7, monounsaturated fatty acid that is enriched in the triglycerides of human adipose tissue and in liver.
包装
1, 5 g in ampule
100 mg in ampule
Sealed ampule.