nonan-2-ol

• ChemBase ID: 74437
• Molecular Formular: C9H20O
• Molecular Mass: 144.2545
• Monoisotopic Mass: 144.15141526
• SMILES: OC(CCCCCCC)C
• Canonical SMILES: CCCCCCCC(O)C
• InChI: InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
• InChIKey: NGDNVOAEIVQRFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonan-2-ol
• IUPAC Traditional name: 2-nonanol
• Synonyms: Heptyl methyl carbinol; 2-Nonanol; 2-Nonanol; n-Heptyl methyl carbinol; Nonan-2-ol; 甲基庚基甲醇; 2-壬醇

Database IDs

• CAS Number: 628-99-9
• EC Number: 211-065-1
• MDL Number: MFCD00004593
• Beilstein Number: 1719466
• PubChem SID: 24897619; 24886673; 24901634; 162039356
• PubChem CID: 12367
• CHEMBL: 454517
• Chemspider ID: 11861
• FEMA ID: 3315
• Unique Ingredient Identifier: 292T5234DX
• Wikipedia Title: 2-Nonanol
• Council of Europe Number: 4149
• Flavis Number: 2.087

CALCULATED PROPERTIES

• Acid pKa: 17.683062
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0001717
• LogD (pH = 7.4): 3.0001717
• Log P: 3.0001717
• Molar Refractivity: 44.9577 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: -35°C; -36°C; -36--35 °C(lit.)
• Boiling Point: 193-194 °C(lit.); 193-194°C; 195-197°C
• Flash Point: 204.8 °F; 82°C(179°F); 96 °C
• Density: 0.825; 0.827 g/mL; 0.827 g/mL at 25 °C(lit.)
• Refractive Index: 1.4310; n20/D 1.431; n20/D 1.431(lit.)
• Organoleptic: melon; green; fatty

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H227; H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97%; ≥97.0% (GC); 95+%; 99%
• Grade: NI; purum
• Linear Formula: CH3(CH2)6CH(OH)CH3

DETAILS

Sigma Aldrich - W331503

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in poly bottle
4 kg in poly drum

Sigma Aldrich - N30307

Packaging
25 g in glass bottle