deca-2,4-dien-1-ol

• ChemBase ID: 110122
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CCCCC/C=C/C=C/CO
• Canonical SMILES: CCCCC/C=C/C=C/CO
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3
• InChIKey: NUBWFSDCZULDCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: deca-2,4-dien-1-ol; (2E,4E)-deca-2,4-dien-1-ol
• IUPAC Traditional name: deca-2,4-dien-1-ol; (2E,4E)-deca-2,4-dien-1-ol
• Synonyms: 2,4-DECADIEN-1-OL; trans,trans-2,4-Decadien-1-ol; 反,反-2,4-癸二烯-1-醇

Database IDs

• CAS Number: 18409-21-7; 14507-02-9
• EC Number: 242-291-9
• MDL Number: MFCD00014052
• PubChem SID: 162096421
• PubChem CID: 5362696

CALCULATED PROPERTIES

• Acid pKa: 16.20619
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.904798
• LogD (pH = 7.4): 2.904798
• Log P: 2.904798
• Molar Refractivity: 51.8201 cm^3
• Polarizability: 19.314552 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80°C/0.5mm
• Flash Point: >110°C(230°F)
• Density: 0.870
• Refractive Index: 1.4890

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 90%, remainder mainly trans, cis isomer