(2Z)-non-2-en-1-ol

• ChemBase ID: 147806
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CCCCCC/C=C\CO
• Canonical SMILES: CCCCCC/C=C\CO
• InChI: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-6,9H2,1H3/b8-7-
• InChIKey: NSSALFVIQPAIQK-FPLPWBNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-non-2-en-1-ol
• IUPAC Traditional name: (2Z)-non-2-en-1-ol
• Synonyms: cis-2-Nonen-1-ol; 顺-2-壬烯-1-醇

Database IDs

• CAS Number: 41453-56-9
• EC Number: 255-376-0
• MDL Number: MFCD00063210
• PubChem SID: 24901857; 162241989
• PubChem CID: 5365027
• FEMA ID: 3720
• Council of Europe Number: 10292
• Flavis Number: 2.112

CALCULATED PROPERTIES

• Acid pKa: 16.081474
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8221512
• LogD (pH = 7.4): 2.8221512
• Log P: 2.8221512
• Molar Refractivity: 46.1025 cm^3
• Polarizability: 17.702093 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 106°C/20mm; 96 °C/10 mmHg(lit.)
• Flash Point: 101°C(214°F); 203 °F; 95 °C
• Density: 0.844 g/mL at 25 °C(lit.); 0.845
• Refractive Index: 1.4500; n20/D 1.45(lit.)
• Organoleptic: melon; waxy

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97%; 95%
• Grade: Kosher; NI
• Contains: 0.10% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: CH3(CH2)5CH=CHCH2OH

DETAILS

Sigma Aldrich - W372005

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
25 g in poly bottle