dec-1-en-3-ol

• ChemBase ID: 144905
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCCCCC(C=C)O
• Canonical SMILES: CCCCCCCC(C=C)O
• InChI: InChI=1S/C10H20O/c1-3-5-6-7-8-9-10(11)4-2/h4,10-11H,2-3,5-9H2,1H3
• InChIKey: NSFWLHKFTGZFBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-1-en-3-ol
• IUPAC Traditional name: dec-1-en-3-ol
• Synonyms: 1-Decen-3-ol; Dec-1-en-3-ol; 1-癸烯-3-醇

Database IDs

• CAS Number: 51100-54-0
• EC Number: 256-967-6
• MDL Number: MFCD02181024
• PubChem SID: 162239117; 24901896
• PubChem CID: 170977
• FEMA ID: 3824
• Flavis Number: 2.136

CALCULATED PROPERTIES

• Acid pKa: 17.48764
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3746135
• LogD (pH = 7.4): 3.3746135
• Log P: 3.3746135
• Molar Refractivity: 49.3718 cm^3
• Polarizability: 19.548393 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 214-217 °C(lit.)
• Flash Point: 195.8 °F; 91 °C
• Density: 0.837 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)
• Organoleptic: cheese; fruity; waxy; vegetable; earthy

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥98%; 95+%
• Linear Formula: CH3(CH2)6CH(OH)CH=CH2

DETAILS

Sigma Aldrich - W382418

Biochem/physiol Actions
Odor at 1.0% EtOH
Taste at 1-10 ppm
Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
25 g in poly bottle