tetradecan-1-ol

• ChemBase ID: 105960
• Molecular Formular: C14H30O
• Molecular Mass: 214.3874
• Monoisotopic Mass: 214.22966558
• SMILES: CCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCO
• InChI: InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
• InChIKey: HLZKNKRTKFSKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecan-1-ol
• IUPAC Traditional name: myristyl alcohol
• Synonyms: Myristyl alcohol; Tetradecyl alcohol; 1-Tetradecanol; Tetradecan-1-ol; n-Tetradecyl alcohol; 1-Tetradecanol; MYRISTYL ALCOHOL; 1-Tetradecanol; 肉豆蔻醇; 1-十四醇

Database IDs

• CAS Number: 112-72-1
• EC Number: 204-000-3
• MDL Number: MFCD00004757
• Beilstein Number: 1742652
• Merck Index: 146334
• PubChem SID: 162088994; 24850687; 24888721
• PubChem CID: 8209
• CHEMBL: 24022
• Chemspider ID: 7917
• KEGG ID: D05097
• Unique Ingredient Identifier: V42034O9PU
• Wikipedia Title: 1-Tetradecanol

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.2510085
• LogD (pH = 7.4): 5.2510085
• Log P: 5.2510085
• Molar Refractivity: 68.1449 cm^3
• Polarizability: 27.168322 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: crystalline
• Melting Point: 35-39 °C; 35-39 °C(lit.); 37-40°C; 38°C; 38-39 °C; 39 - 40 °C; 39°C
• Boiling Point: >260 °C; 263.2 °C at 1013 hPa; 263.2°C; 289 °C(lit.); 289°C
• Flash Point: 141°C(285°F); 148 °C; 298 °F; 298.4 °F; ca. 155 °C (open cup)
• Auto Ignition Point: 489 °F
• Density: .8355 g/cm^3 at 20 °C; 0.823; 0.823 g/mL at 25 °C(lit.); 0.824 g/cm3; 0.8355 g/ml
• Vapor Pressure: .0133 hPa at 20 °C
• Vapor Density: 7.4 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: XB8655000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: -; 3
• Risk Statements: 36; 38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C; room temp

Product Information

• Purity: ~96% (capillary GC); ~99%; ≥95.0% (GC); ≥99.0%; ≥99.0% (GC); 95+%; 97%; 97+%
• Grade: certified reference material; purum; Selectophore™
• Packaging: pkg of 1 g
• Pharmacopeia Traceability: traceable to USP 1449008
• Linear Formula: CH3(CH2)13OH

DETAILS

MP Biomedicals - 05206463

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02195337

Crystalline
Purity: ~99%

Sigma Aldrich - 185388

Packaging
100 g in glass bottle

Sigma Aldrich - PHR1135

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 - 87158

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