(5E)-dec-5-en-1-ol

• ChemBase ID: 137031
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCC/C=C/CCCCO
• Canonical SMILES: CCCC/C=C/CCCCO
• InChI: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h5-6,11H,2-4,7-10H2,1H3/b6-5+
• InChIKey: WYPQHXVMNVEVEB-AATRIKPKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E)-dec-5-en-1-ol
• IUPAC Traditional name: decan-5-en-1-ol
• Synonyms: trans-5-Decen-1-ol; 反-5-癸烯-1-醇; 反-5-癸烯醇

Database IDs

• CAS Number: 56578-18-8
• EC Number: 260-267-6
• MDL Number: MFCD00056187
• Beilstein Number: 1840630
• PubChem SID: 162231297; 24857173
• PubChem CID: 5283292

CALCULATED PROPERTIES

• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 16.918652
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1108122
• LogD (pH = 7.4): 3.1108122
• Log P: 3.1108122
• Molar Refractivity: 50.8575 cm^3
• Polarizability: 19.548393 Å^3

PROPERTIES

Physical Property

• Boiling Point: 113-118 °C/11 mmHg(lit.); 113-118°C/11mm
• Flash Point: 143.6 °F; 62 °C; 62°C(143°F)
• Refractive Index: 1.4520; n20/D 1.452(lit.)

Safety Information

• RTECS: HE2096000
• German water hazard class: 3
• TSCA Listed: 是
• GHS Hazard statements: H227
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 96%; 97%
• Linear Formula: CH3(CH2)3CH=CH(CH2)4OH

DETAILS

Sigma Aldrich - 284726

Packaging
5 g in glass bottle