(9Z)-octadec-9-en-1-ol

• ChemBase ID: 128718
• Molecular Formular: C18H36O
• Molecular Mass: 268.47784
• Monoisotopic Mass: 268.27661577
• SMILES: OCCCCCCCC/C=C\CCCCCCCC
• Canonical SMILES: CCCCCCCC/C=C\CCCCCCCCO
• InChI: InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-
• InChIKey: ALSTYHKOOCGGFT-KTKRTIGZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-octadec-9-en-1-ol
• IUPAC Traditional name: conditioner 1
• Synonyms: cis-9-Octadecen-1-ol; cis-9-Octadecenyl alcohol; Z-9-Dodecen-1-ol; Oleyl alcohol; Octadecenol; cis-9-Octadecen-1-ol; Oleyl alcohol; 顺式-9-十八烯-1-醇; 油醇

Database IDs

• CAS Number: 143-28-2
• EC Number: 205-597-3
• MDL Number: MFCD00002993
• Beilstein Number: 1723962
• Merck Index: 146831
• PubChem SID: 24898063; 162223024
• PubChem CID: 5284499
• Chemspider ID: 4447562
• KEGG ID: D05245
• Unique Ingredient Identifier: 172F2WN8DV
• Wikipedia Title: Oleyl_alcohol

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.6673617
• LogD (pH = 7.4): 6.6673617
• Log P: 6.6673617
• Molar Refractivity: 87.6655 cm^3
• Polarizability: 34.321606 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Melting Point: 0-5.0 °C(lit.); 13-19 °C; ca 6°C
• Boiling Point: 206-207°C/13mm; 207 °C/13 mmHg(lit.); 330-360 °C
• Flash Point: 170 °C; 180°C(356°F); 338 °F
• Density: 0.845-0.855 g/cm^3; 0.849; 0.849 g/mL at 25 °C(lit.)
• Refractive Index: 1.4600; n20/D 1.46(lit.)

Safety Information

• RTECS: RG4120000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H315
• GHS Precautionary statements: P280-P264-P302+P352-P321-P362-P332+P313
• 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% (GC); tech. 80-85%