trihexyl phosphate

• ChemBase ID: 53538
• Molecular Formular: C18H39O4P
• Molecular Mass: 350.473621
• Monoisotopic Mass: 350.25859636
• SMILES: P(=O)(OCCCCCC)(OCCCCCC)OCCCCCC
• Canonical SMILES: CCCCCCOP(=O)(OCCCCCC)OCCCCCC
• InChI: InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
• InChIKey: SFENPMLASUEABX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trihexyl phosphate
• IUPAC Traditional name: trihexyl phosphate
• Synonyms: Trihexyl phosphate; Tri-n-hexyl phosphate; 磷酸三正己酯, 90+%最低

Database IDs

• CAS Number: 2528-39-4
• EC Number: 219-774-8
• MDL Number: MFCD00015351
• PubChem SID: 162058301
• PubChem CID: 75666

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7528872
• LogD (pH = 7.4): 6.7528872
• Log P: 6.7528872
• Molar Refractivity: 97.3256 cm^3
• Polarizability: 39.238213 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 90+%