hexadecan-1-ol

• ChemBase ID: 102354
• Molecular Formular: C16H34O
• Molecular Mass: 242.44056
• Monoisotopic Mass: 242.26096571
• SMILES: CCCCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
• InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecan-1-ol
• IUPAC Traditional name: cetyl alcohol
• Synonyms: 1-Hexadecanol; Palmityl alcohol; CETYL ALCOHOL; 1-Hexadecanol; Cetyl alcohol; n-Hexadecyl alcohol; 1-Hexadecanol; hexadecan-1-ol; Cetanol; Cetyl alcohol; Ethal; Ethol; Hexadecanol; Hexadecyl alcohol; Alcohol cetylicus; 十六醇; 鲸蜡醇; 1-十六烷醇; 1-十六烷醇; 棕榈醇; 鲸蜡醇; 1-十六醇

Database IDs

• CAS Number: 36653-82-4
• EC Number: 253-149-0
• MDL Number: MFCD00004760
• Beilstein Number: 1748475
• Merck Index: 142028
• PubChem SID: 24895768; 24874269; 24885852; 24855657; 24845613; 24901140; 162088069
• PubChem CID: 2682
• CHEBI ID: 16125
• CHEMBL: 706
• Chemspider ID: 2581
• FEMA ID: 2554
• KEGG ID: D00099
• Unique Ingredient Identifier: 936JST6JCN
• Wikipedia Title: Cetyl_alcohol
• Council of Europe Number: 57
• Flavis Number: 2.009

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.140146
• LogD (pH = 7.4): 6.140146
• Log P: 6.140146
• Molar Refractivity: 77.3469 cm^3
• Polarizability: 30.861359 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Soluble in alcohol, chloroform, ether
• Apperance: crystalline; White crystals
• Melting Point: 47-49 °C; 47-51°C; 48-50 °C(lit.); 49°C; 49-50 °C; 49-51 °C; 54 - 56°C; 54-56°C
• Boiling Point: 179-181 °C/10 mmHg(lit.); 179-181°C at 10 mm; 190 °C/15 mmHg(lit.); 190°C/15mm; 344°C
• Flash Point: 113 °C; 135°C(275°F); 170 °C; 185°C (365°F); 235 °F; 235.4 °F; 338 °F
• Auto Ignition Point: 483 °F
• Density: 0.811 g/cm3; 0.817; 0.818 g/mL at 25 °C(lit.)
• Vapor Pressure: <0.01 mmHg ( 43 °C); 3.06 x 10-6 mm Hg at 30 °C
• Vapor Density: 8.34 (vs air)
• Hydrophobicity(logP): 7.171
• Organoleptic: waxy; floral

Safety Information

• Storage Condition: 2-8°C
• RTECS: MM0225000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: -; 1; 3
• Risk Statements: 36/37/38; 38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Explode Limits: 8 %
• GHS Hazard statements: H315-H319-H335; H315-H319-H413; H315-H413
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C; room temp
• Regulation Compliance: FDA 21 CFR (172.515)

Pharmacology Properties

• Target: Others
• Allergens: no known allergens

Product Information

• Purity: ~99%; ≥95.0% (GC); ≥98.0%; ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); 95%; 97%; 98%; 99%
• Grade: analytical standard; certified reference material; NI; Ph Eur; puriss.; purum; ReagentPlus®; SAJ special grade; Selectophore™
• Salt Data: Free Base
• Packaging: pkg of 1 g
• Shelf Life: (limited shelf life, expiry date on the label)
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Pharmacopeia Traceability: traceable to PhEur C0990000; traceable to USP 1103003
• Linear Formula: CH3(CH2)15OH

DETAILS

MP Biomedicals - 02101309

Crystalline
Purity: ~99%

Sigma Aldrich - 258741

Packaging
100, 500 g in poly bottle
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - H6800

Packaging
1 kg in poly bottle

Sigma Aldrich - W255408

Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum

Sigma Aldrich - PHR1133

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 - 52238

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