Distearyl phthalate
Basic information
- CAS
14117-96-5- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCCCCCCC- InChIKey
MQKMBXOZOISLIV-UHFFFAOYSA-N- Molecular formula
- C44H78O4
- Average molar mass
- 671.1 g/mol
- Monoisotopic mass
- 670.59001097
Names & identifiers
- Preferred name
- Distearyl phthalate
- IUPAC
- dioctadecyl benzene-1,2-dicarboxylate
- English name
- dioctadecyl phthalate
- Molecular formula
- C44H78O4
- Molecular weight
- 671.09
Names & synonyms
Dioctadecyl phthalate14117-96-5Distearyl phthalateUNII-06J46O83PN06J46O83PNEINECS 237-971-7DTXSID2065707RefChem:135132DTXCID30345811,2-Benzenedicarboxylic acid, 1,2-dioctadecyl esterdioctadecyl benzene-1,2-dicarboxylate1,2-dioctadecyl benzene-1,2-dicarboxylate
Show more names
Stearyl phthalateDISTEARYLPHTHALATEDioctadecylphthalatn-Octadecyl phthalateDI-N-OCTADECYLPHTHALATEPHTHALICACID,DIOCTADECYLESTERPHTHALICACID,DI-N-OCTADECYLESTER
1,2-Benzenedicarboxylicacid, 1,2-dioctadecyl esterC44H78O41,2-Benzenedicarboxylic acid, dioctadecyl esterSCHEMBL111107MQKMBXOZOISLIV-UHFFFAOYSA-NMFCD22372084AKOS030627152AS-68650
Database identifiers
- CAS
14117-96-5- PubChem CID
- 84206
- DTXSID
DTXSID2065707- UNII
- 06J46O83PN
- EC Number
- 237-971-7
- Nikkaji
- J162.978F
Properties
Computed structural properties
- XLogP
- 19.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 38
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 633
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 56 °C · 56 °C
- Boiling point
- 591.1 · 591.1±18.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- FDA UNII
- 6 J46O83PN · 06J46O83PN
- EPA Substance Registry System
- Dioctadecyl phthalate (14117-96-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (15 of 15) of all reports.
Not Classified
Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2-Benzenedicarboxylic acid, dioctadecyl ester
Regulation (EC) No 178/2002 (amended)
1,2-Benzenedicarboxylic acid, dioctadecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1,2-dioctadecyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
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Compound notes
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