octadec-9-en-1-ol

• ChemBase ID: 80431
• 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
• InChIKey: ALSTYHKOOCGGFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-9-en-1-ol
• IUPAC Traditional name: 9-octadecen-1-ol; octadec-9-en-1-ol
• Synonyms: octadec-9-en-1-ol; OLEIC ALCOHOL; OLEIC ALCOHOL TECHNICAL GRADE; cis-9-Octadecen-1-ol; OLEYL ALCOHOL; trans-9-Octadecenol; ELAIDYL ALCOHOL; trans-9-Octadecenol; Elaidyl alcohol; Z-9-Dodecen-1-ol; Oleyl alcohol; 顺式-9-十八烯-1-醇; 油醇

Database IDs

• CAS Number: 506-42-3; 143-28-2
• EC Number: 205-597-3; 208-037-6
• MDL Number: MFCD00002993; MFCD00063218
• Beilstein Number: 1723962
• PubChem SID: 162067551; 24862955; 24894576
• PubChem CID: 5367665

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: chloroform: soluble0.1 g/mL, clear, colorless
• Melting Point: 0-5.0 °C(lit.)
• Boiling Point: 207 °C/13 mmHg(lit.); 207°C
• Flash Point: 170 °C; 338 °F
• Density: 0.849 g/mL at 25 °C(lit.); 0.85 g/ml
• Refractive Index: n20/D 1.46(lit.); n20/D 1.460
• Vapor Pressure: 9.3 x 10-5 mm Hg at 25 °C (estimated) (SRC)

Safety Information

• Storage Condition: 0°C; 2-8°C
• RTECS: RG4120000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ~60% (GC); ≥98.0% (GC); ≥99%; 65%; 85%; 99%
• Grade: TECHNICAL; technical; technical grade
• Iodine Value: ~95
• Linear Formula: CH3(CH2)7CH=CH(CH2)7CH2OH
• Empirical Formula (Hill Notation): C18H36O

DETAILS

MP Biomedicals - 05215170

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05217294

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155996

(cis-9-Octadecen-1-ol) Purity: 99% 1 ml = approx. 0.85 g

MP Biomedicals - 02157918

Purity: 99%
Crystalline

Sigma Aldrich - E4752

Packaging
Sealed ampule.

Sigma Aldrich - 369314

Packaging
100 g in glass bottle

Sigma Aldrich - O7600

Packaging
25 g in glass bottle