(6Z)-non-6-en-1-ol

• ChemBase ID: 145786
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CC/C=C\CCCCCO
• Canonical SMILES: OCCCCC/C=C\CC
• InChI: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h3-4,10H,2,5-9H2,1H3/b4-3-
• InChIKey: XJHRZBIBSSVCEL-ARJAWSKDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6Z)-non-6-en-1-ol
• IUPAC Traditional name: (6Z)-non-6-en-1-ol
• Synonyms: cis-6-Nonen-1-ol; 顺-6-壬烯-1-醇

Database IDs

• CAS Number: 35854-86-5
• EC Number: 252-764-1
• MDL Number: MFCD00015388
• Beilstein Number: 2322878
• PubChem SID: 24901717; 162239988
• PubChem CID: 5362792
• FEMA ID: 3465
• Council of Europe Number: 10294
• Flavis Number: 2.093

CALCULATED PROPERTIES

• Acid pKa: 16.843937
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6662436
• LogD (pH = 7.4): 2.6662436
• Log P: 2.6662436
• Molar Refractivity: 46.2565 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: 115 °C/20 mmHg(lit.); 85°C/5mm
• Flash Point: 199.4 °F; 93 °C; 98°C(208°F)
• Density: 0.85 g/mL at 25 °C(lit.); 0.850
• Refractive Index: 1.4510; n20/D 1.449(lit.)
• Organoleptic: melon; green

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥95%; 98%
• Grade: FG; Halal; Kosher; NI
• Linear Formula: C2H5CH=CH(CH2)5OH

DETAILS

Sigma Aldrich - W346500

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle
Packaged in glass bottles