nonan-3-ol

• ChemBase ID: 74438
• Molecular Formular: C9H20O
• Molecular Mass: 144.2545
• Monoisotopic Mass: 144.15141526
• SMILES: OC(CC)CCCCCC
• Canonical SMILES: CCCCCCC(CC)O
• InChI: InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3
• InChIKey: GYSCXPVAKHVAAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonan-3-ol
• IUPAC Traditional name: 3-nonanol
• Synonyms: Ethyl n-hexyl carbinol; Ethyl hexyl carbinol; 3-Nonanol; 3-Nonanol; 乙基己基甲醇; 3-壬醇

Database IDs

• CAS Number: 624-51-1
• EC Number: 210-850-6
• MDL Number: MFCD00014411
• Beilstein Number: 1719453
• PubChem SID: 24886675; 162039357
• PubChem CID: 12216

CALCULATED PROPERTIES

• Acid pKa: 18.251219
• 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

• Boiling Point: 192°C; 192-194 °C(lit.); 192-194°C
• Flash Point: 204.8 °F; 79°C(174°F); 96 °C
• Density: 0.824; 0.824 g/mL at 20 °C(lit.)
• Refractive Index: 1.4310; n20/D 1.431

Safety Information

• European Hazard Symbols: Nature polluting (N)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 51/53
• Safety Statements: 61
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ≥95.0% (GC); 98%
• Linear Formula: CH3CH2CH(OH)(CH2)5CH3

DETAILS

MP Biomedicals - 05221100

MP Biomedicals Rare Chemical collection