octadecan-1-ol

• ChemBase ID: 102759
• Molecular Formular: C18H38O
• Molecular Mass: 270.49372
• Monoisotopic Mass: 270.29226584
• SMILES: CCCCCCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
• InChIKey: GLDOVTGHNKAZLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecan-1-ol
• IUPAC Traditional name: stearyl alcohol
• Synonyms: stearyl alcohol; 1-Octadecanol; 1-Octadecanol; Octadecyl alcohol; STEARYL ALCOHOL; Octadecan-1-ol; n-OCTADECYL ALCOHOL TECHNICAL GRADE; Stearyl Alcohol; n-Octadecyl alcohol; 十八烷醇; 硬脂醇; 1-十八醇

Database IDs

• CAS Number: 112-92-5
• EC Number: 204-017-6
• MDL Number: MFCD00002823
• Beilstein Number: 1362907
• Merck Index: 148805
• PubChem SID: 24855658; 162090072; 24886710; 24898043
• PubChem CID: 8221
• CHEBI ID: 32154
• CHEMBL: 24640
• Chemspider ID: 7928
• Unique Ingredient Identifier: 2KR89I4H1Y
• Wikipedia Title: Stearyl_alcohol

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.029283
• LogD (pH = 7.4): 7.029283
• Log P: 7.029283
• Molar Refractivity: 86.5489 cm^3
• Polarizability: 34.554615 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 1.1 x 10^-3 mg/L in water; methanol: soluble10 mg/mL, clear, colorless
• Apperance: White solid
• Melting Point: 56-59 °C; 56-59 °C(lit.); 56-60°C; 57.4 - 57.7 °C; 57.4°C; 57-58 °C; 58-61 °C; 59.4-59.8 °C
• Boiling Point: 170-171 °C/2 mmHg; 210 °C at 15 mmHg (~2.0 kPa); 210 °C/15 mmHg; 210°C/15mm; 340 - 360 °C at 1013 hPa; 340°C
• Flash Point: >113 °C; >235.4 °F; 174°C(345°F); 185°C (365°F); 195 °C; 383 °F; ca. 195 °C (open cup)
• Auto Ignition Point: 450°C; 842 °F
• Density: .8124 g/cm^3 at 59 °C; 0.812 g/cm3; 0.812 g/mL at 25 °C(lit.)
• Vapor Pressure: .00015 hPa at 20 °C; <0.01 mmHg ( 38 °C)
• Vapor Density: 9.3 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: RG2010000
• German water hazard class: nwg
• TSCA Listed: 是
• Explode Limits: ~8 %
• GHS Hazard statements: H303
• GHS Precautionary statements: P312
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ~99%; ≥95.0% (GC); ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); 95%; 95+%; 97%; 99%
• Grade: certified reference material; puriss.; purum; ReagentPlus®; Selectophore™; TECHNICAL
• Packaging: pkg of 1 g
• Pharmacopeia Traceability: traceable to PhEur S1350000; traceable to USP 1622000
• Linear Formula: CH3(CH2)17OH

DETAILS

MP Biomedicals - 02102959

Purity: ~99%

Sigma Aldrich - 258768

Packaging
100 g in poly bottle
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - O709

Packaging
1 kg in poly bottle
2 kg in poly drum

Sigma Aldrich - PHR1115

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

Sigma Aldrich - 74723

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH