HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diisoundecyl phthalate
Diplast L 11ST · diisoundecyl phthalate · DI-N-UNDECYL PHTHALATE · Diundecyl Phthalate PHTHALIC ACID DIUNDECYL ESTER · Diisoundecyl phthalate, techn. · Di-iso-undecyl phthalate@100 μg/mL in Methanol · 1,2-Benzenedicarboxylic acid, diisoundecyl ester · DiundecylPhthalate(mixtureofbranchedchainisomers)>Diisoundecyl Phthalate (Mixture of Branched Isomers)
Identifiers & Physical Properties
| CAS No. | 96507-86-7 |
|---|---|
| Molecular formula | C30H50O4 |
| Average molar mass | 474.7 g/mol |
| Monoisotopic mass | 474.37091007 g/mol |
| SMILES | CC(C)CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C |
| InChIKey | LGBAGUMSAPUZPU-UHFFFAOYSA-N |
| PubChem CID | 175686 |
| EC No. | 306-165-8 |
| DTXSID | DTXSID90242295 |
Chemical & Physical Properties
| XLogP | 11.7 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 22 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 468 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Boiling point | 267 °C / 3mmHg |
| Refractive index | 1.48 |
| Flash point | 239 °C |
| Storage conditions | Refrigerator |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Physical state | Oil |
| Color | Colourless |
| RTECS number | TI1980000 |
| Customs code | 2917.34.0150 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.Not ClassifiedAggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: 1,2-Benzenedicarboxylic acid, diisoundecyl ester1,2-Benzenedicarboxylic acid, diisoundecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Not Classified |
| Health effects | Phthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called 'phthalate syndrome’. (A2883) |
| Exposure routes | Oral (L1903)inhalation (L1903)dermal (L1903) |
| Toxicity summary | Phthalate esters are endocrine disruptors. They decrease foetal testis testosterone production and reduce the expression of steroidogenic genes by decreasing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide 3 (insl3), an important hormone secreted by the Leydig cell necessary for development of the gubernacular ligament. Animal studies have shown that these effects disrupt reproductive development and can cause a number of malformations in affected young. (A2883) |
| Signs and Symptoms | Phthalate esters are endocrine disruptors and can cause a number of developmental malformations termed 'phthalate syndrome'. (A2883) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| RTECS number | TI1980000 |
| Customs code | 2917.34.0150 |
Applications & Uses
Uses
Diisoundecyl Phthalate is a phthalate diester and has been investigate for its toxicology in male rats for risk assessment.