tetradecanal

• ChemBase ID: 108983
• Molecular Formular: C14H28O
• Molecular Mass: 212.37152
• Monoisotopic Mass: 212.21401552
• SMILES: CCCCCCCCCCCCCC=O
• Canonical SMILES: CCCCCCCCCCCCCC=O
• InChI: InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h14H,2-13H2,1H3
• InChIKey: UHUFTBALEZWWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradecanal
• IUPAC Traditional name: tetradecanal
• Synonyms: MYRISTIC ALDEHYDE, TRIMER; Myristaldehyde; Myristic aldehyde; n-Tetradecyl aldehyde; Myristyl aldehyde; 1-Tetradecanal; Aldehyde peche; Myristinaldehyde; Myristylaldehyde; NSC 66435; Peach aldehyde; Tetradecanaldehyde; Tetradecyl aldehyde; n-Tetradecanal; n-Tetradecyl aldehyde; Tetradecanal

Database IDs

• CAS Number: 124-25-4
• EC Number: 204-692-7
• PubChem SID: 162094663
• PubChem CID: 31291
• Chemspider ID: 29031
• Wikipedia Title: Myristyl_aldehyde

CALCULATED PROPERTIES

• Acid pKa: 15.555514
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2088294
• LogD (pH = 7.4): 5.2088294
• Log P: 5.2088294
• Molar Refractivity: 66.9562 cm^3
• Polarizability: 26.617151 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; DMSO; Methanol
• Apperance: White Semi-Solid

Safety Information

• RTECS: XB7900000

Product Information

• Classification: Genuine Natural Compounds

DETAILS

Toronto Research Chemicals - T291440

A major component of the essential oil found in the leaves of Azadirachta indica.

REFERENCES

• Dastan, D. et al.; J. Essential Oil-Bearing Plants, 13, 357 (2010)