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| CAS No.: | 68515-48-0 |
|---|---|
| Name: | Diisononyl phthalate |
| Molecular Structure: | |
 |
|
| Formula: | C26H42O4 |
| Molecular Weight: | 418.62 |
| Synonyms: | DI(ISONONYL)PHTHALATE1;DI-ISONONYLPHTHALATE,BRANCHED;DIISONONYL PHTHALATE,TECH.;Phthalic Acid Diisononyl Ester DINP;DINP-1;Dialkyl-(C8-C10)phthalate;di-(isononyl) phthalate; |
| EINECS: | 271-090-9 |
| Density: | 0.973 g/cm3 |
| Boiling Point: | 405.7 °C at 760 mmHg |
| Flash Point: | 216.3 °C |
| Solubility: | Insoluble in water |
| Appearance: | Colorless transparent liquid |
| Risk Codes: | 62-63 |
| Safety: | 23-36/37 |
| PSA: | 52.60000 |
| LogP: | 7.21320 |
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Specification
The IUPAC name of Diisononyl phthalate is bis(7-methyloctyl) benzene-1,2-dicarboxylate. With the CAS registry number 68515-48-0, it is also named as Di(C8-10, C9 rich) branched alkyl phthalates. The product's categories are Plasticizers; Polymer Additives; Polymer Science. It is colorless transparent liquid which is insoluble in water, compatible with PVC, polystyrene and vinyl chloride - vinyl acetate copolymer, partially compatible with polyvinyl acetate, cellulose acetate butyrate and cellulose nitrate, and incompatible with ethyl cellulose and cellulose acetate, methyl acrylate resin. In addition, Diisononyl phthalate is a phthalate used as a plasticizer.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 9.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.77; (4)ACD/LogD (pH 7.4): 9.77; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 18; (8)Index of Refraction: 1.487; (9)Molar Refractivity: 123.84 cm3; (10)Molar Volume: 430 cm3; (11)Polarizability: 49.09×10-24 cm3; (12)Surface Tension: 35.2 dyne/cm; (13)Flash Point: 216.3 °C; (14)Enthalpy of Vaporization: 65.73 kJ/mol; (15)Boiling Point: 405.7 °C at 760 mmHg; (16)Vapour Pressure: 8.61E-07 mmHg at 25°C; (17)Rotatable Bond Count: 18; (18)Exact Mass: 418.30831; (19)MonoIsotopic Mass: 418.30831; (20)Topological Polar Surface Area: 52.6; (21)Heavy Atom Count: 30; (22)Complexity: 416.
When you are using this chemical, please be cautious about it as the following:
It is possible risk of harm to the unborn child, so people should not breathe vapour. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCC(C)C
2. InChI:InChI=1/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3