nonan-5-ol

• ChemBase ID: 74439
• Molecular Formular: C9H20O
• Molecular Mass: 144.2545
• Monoisotopic Mass: 144.15141526
• SMILES: OC(CCCC)CCCC
• Canonical SMILES: CCCCC(CCCC)O
• InChI: InChI=1S/C9H20O/c1-3-5-7-9(10)8-6-4-2/h9-10H,3-8H2,1-2H3
• InChIKey: FCBBRODPXVPZAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonan-5-ol
• IUPAC Traditional name: 5-nonanol
• Synonyms: DI-n-BUTYL CARBINOL; Dibutyl carbinol; 5-Nonanol; Di-n-butyl carbinol; 5-Nonanol; 二丁基甲醇; 5-壬醇

Database IDs

• CAS Number: 623-93-8
• EC Number: 210-820-2
• MDL Number: MFCD00021944
• Beilstein Number: 1733552
• PubChem SID: 24886677; 162039358; 24886678
• PubChem CID: 12202

CALCULATED PROPERTIES

• Acid pKa: 18.484184
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0781252
• LogD (pH = 7.4): 3.0781255
• Log P: 3.0781255
• Molar Refractivity: 44.8807 cm^3
• Polarizability: 17.937511 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 5°C
• Boiling Point: 193°C; 194-196°C; 195 °C(lit.)
• Flash Point: 170.6 °F; 77 °C; 96°C(204°F)
• Density: 0.821 g/mL at 20 °C(lit.); 0.826
• Refractive Index: 1.4290; n20/D 1.429

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); ≥99.5% (GC); 98%
• Grade: puriss.
• Linear Formula: (CH3CH2CH2CH2)2CHOH

DETAILS

MP Biomedicals - 05208151

MP Biomedicals Rare Chemical collection