1,2-dinonyl benzene-1,2-dicarboxylate

• ChemBase ID: 109351
• Molecular Formular: C26H42O4
• Molecular Mass: 418.60928
• Monoisotopic Mass: 418.30830982
• SMILES: CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC
• Canonical SMILES: CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC
• InChI: InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
• InChIKey: DROMNWUQASBTFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dinonyl benzene-1,2-dicarboxylate
• IUPAC Traditional name: dinonyl phthalate
• Synonyms: DINONYL PHTHALATE; Phthalic acid di-n-nonyl ester; Dinonyl phthalate, mixture of isomers; 1,2-dinonyl benzene-1,2-dicarboxylate; 邻苯二甲酸二壬酯, 异构体混合物

Database IDs

• CAS Number: 84-76-4
• EC Number: 201-560-0
• MDL Number: MFCD00036237
• Beilstein Number: 1916263
• PubChem SID: 162094938
• PubChem CID: 6787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.073685
• LogD (pH = 7.4): 9.073685
• Log P: 9.073685
• Molar Refractivity: 123.8658 cm^3
• Polarizability: 48.639175 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 216°C(421°F)
• Density: 0.97; 0.972 g/ml
• Hydrophobicity(logP): 10.024

Safety Information

• RTECS: TI1800000
• TSCA Listed: 是

Product Information

• Purity: 95%; 95+%; 98%