(5Z)-oct-5-en-1-ol

• ChemBase ID: 147784
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: CC/C=C\CCCCO
• Canonical SMILES: OCCCC/C=C\CC
• InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h3-4,9H,2,5-8H2,1H3/b4-3-
• InChIKey: VDHRTASWKDTLER-ARJAWSKDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-oct-5-en-1-ol
• IUPAC Traditional name: (5Z)-oct-5-en-1-ol
• Synonyms: cis-5-Octen-1-ol; 顺式-5-辛烯-1-醇; 顺-5-辛烯-1-醇

Database IDs

• CAS Number: 64275-73-6
• EC Number: 264-764-9
• MDL Number: MFCD00015569
• Beilstein Number: 1840670
• PubChem SID: 162241967; 24901859
• PubChem CID: 5352837
• FEMA ID: 3722
• Flavis Number: 2.113

CALCULATED PROPERTIES

• Acid pKa: 16.918652
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.221675
• LogD (pH = 7.4): 2.221675
• Log P: 2.221675
• Molar Refractivity: 41.6555 cm^3
• Polarizability: 15.855958 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95 °C/25 mmHg(lit.); 95°C/25mm
• Flash Point: 190.4 °F; 82°C(179°F); 88 °C
• Density: 0.849 g/mL at 25 °C(lit.); 0.850
• Refractive Index: 1.4520; n20/D 1.448(lit.)
• Organoleptic: green; fatty

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38-41
• Safety Statements: 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H227; H315-H318
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A; P280-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: ≥98%; 95%, remainder mainly trans-isomer
• Grade: Halal; Kosher; NI
• Contains: 0.10% alpha-tocopherol, synthetic as antioxidant
• Linear Formula: C2H5CH=CH(CH2)4OH

DETAILS

Sigma Aldrich - W372218

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