icosan-1-ol

• ChemBase ID: 87286
• Molecular Formular: C20H42O
• Molecular Mass: 298.54688
• Monoisotopic Mass: 298.32356596
• SMILES: OCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
• InChIKey: BTFJIXJJCSYFAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: icosan-1-ol
• IUPAC Systematic name: Icosan-1-ol
• IUPAC Traditional name: arachidyl alcohol
• Synonyms: Arachinyl alcohol; 1-Eicosanol; Eicosan-1-ol; Icosan-1-ol; EICOSYL ALCOHOL, TECH; Eicosyl alcohol; ARACHIDIC ALCOHOL; 1-Eicosanol; Arachidalcohol; Arachidic alcohol; Hydroxyicosane; Icosalcohol; Icosanol; 1-Icosanol; n-Icosanol; Icosan-1-ol; Icosyl alcohol; Icosyl hydrate; Icosylic alcohol; Nonadecylcarbinol; Arachidyl alcohol; 1-二十醇; 二十烷醇; 1-二十烷醇

Database IDs

• CAS Number: 629-96-9
• EC Number: 211-119-4
• MDL Number: MFCD00002938
• Beilstein Number: 1705104
• PubChem SID: 24854045; 162074397; 24868420; 24868418
• PubChem CID: 12404
• CHEMBL: 451717
• Chemspider ID: 11898
• Unique Ingredient Identifier: 1QR1QRA9BU
• Wikipedia Title: Arachidyl_alcohol

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.918421
• LogD (pH = 7.4): 7.918421
• Log P: 7.918421
• Molar Refractivity: 95.7509 cm^3
• Polarizability: 38.248028 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 1.51 × 10^-6 g dm^-3 in water
• Apperance: White, translucent crystals
• Melting Point: 62-65 °C(lit.); 62-65°C; 62-66°C; 63-66 °C; 64°C
• Boiling Point: 220-225°C/3mm; 372°C
• Flash Point: 194 °C; 195 °C; 195°C; 195°C(383°F); 381.2 °F; 383 °F
• Density: 0.8; 0.841
• Vapor Pressure: <0.01 kPa (at 20 °C); <0.1 mmHg ( 20 °C)
• Vapor Density: 7.4 (vs air)
• Partition Coefficient: 8.99

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥90% (GC); ≥97%; ≥97.0% (GC); 85%; 95+%; 96%; 98%; 99%
• Grade: purum; technical
• Linear Formula: CH3(CH2)19OH

DETAILS

MP Biomedicals - 05215979

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05205970

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 234494

Packaging
5 g in glass bottle