2-ethylhexyl diphenyl phosphate

• ChemBase ID: 157353
• Molecular Formular: C20H27O4P
• Molecular Mass: 362.399741
• Monoisotopic Mass: 362.16469597
• SMILES: CCCCC(CC)COP(=O)(Oc1ccccc1)Oc1ccccc1
• Canonical SMILES: CCCCC(COP(=O)(Oc1ccccc1)Oc1ccccc1)CC
• InChI: InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3
• InChIKey: CGSLYBDCEGBZCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylhexyl diphenyl phosphate
• IUPAC Traditional name: santicizer 141
• Synonyms: 2-Ethylhexyl diphenyl phosphate; 2-乙基己基二苯基磷酸酯

Database IDs

• CAS Number: 1241-94-7
• EC Number: 214-987-2
• MDL Number: MFCD00059949
• PubChem SID: 24860836; 162251490
• PubChem CID: 14716

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.452273
• LogD (pH = 7.4): 6.452273
• Log P: 6.452273
• Molar Refractivity: 99.8022 cm^3
• Polarizability: 39.957912 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 224 °C; 435.2 °F

Safety Information

• RTECS: TC6125000
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H410
• GHS Precautionary statements: P273-P301 + P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3082 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C20H27O4P

DETAILS

Sigma Aldrich - 34064

Legal Information
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