heptadecan-1-ol

• ChemBase ID: 108493
• Molecular Formular: C17H36O
• Molecular Mass: 256.46714
• Monoisotopic Mass: 256.27661577
• SMILES: CCCCCCCCCCCCCCCCCO
• Canonical SMILES: CCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3
• InChIKey: GOQYKNQRPGWPLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadecan-1-ol
• IUPAC Traditional name: heptadecyl alcohol
• Synonyms: Heptadecyl alcohol; 1-Heptadecanol; Heptadecan-1-ol; prim-n-HEPTADECYL ALCOHOL; 十七醇; 1-十七烷醇; 1-十七醇

Database IDs

• CAS Number: 1454-85-9
• EC Number: 215-932-5
• MDL Number: MFCD00002822
• Beilstein Number: 1702195
• PubChem SID: 162095490; 24854321
• PubChem CID: 15076

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.5847144
• LogD (pH = 7.4): 6.5847144
• Log P: 6.5847144
• Molar Refractivity: 81.9479 cm^3
• Polarizability: 32.707966 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 51-55 °C; 51-55 °C(lit.); 52-56°C
• Boiling Point: 308-309°C
• Flash Point: 154 °C; 155°C(311°F); 309.2 °F

Safety Information

• RTECS: MI3885000; MI3900000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: CH3(CH2)16OH

DETAILS

Sigma Aldrich - 241695

Packaging
25 g in poly bottle
5 g in glass bottle