Basic information
- CAS
16883-83-3- Standard SMILES
CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C- InChIKey
HPZSSCRWFLKGOG-UHFFFAOYSA-N- Molecular formula
- C27H34O6
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.2355388
Names & identifiers
- Preferred name
- Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate
- IUPAC
- 1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate
- English name
- 3-Hydroxy-2,2,4-triMethylpentyl Ester Benzyl Phthalate
- Molecular formula
- C27H34O6
- Molecular weight
- 454.56
Names & synonyms
16883-83-3Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalateBenzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthalateEINECS 240-920-1NUV6UJ70241,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl esterDTXSID4027785Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate1,2-Benzenedicarboxylic acid, 1-(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) 2-(phenylmethyl) esterPhthalic acid, benzyl 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester isobutyrate1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-(BENZYL PHTHALATE) ISOBUTYRATEISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZYL PHTHALATE
Show more names
benzyl phthalate derivativeBenzyl-3-isobutyryloxy-1-isopropyl-2,2-dimethyl-propylphthalatPhthalic acid 1-benzyl 2-(1-isobutyryloxy-2,2,4-trimethylpentan-3-yl) esterPhthalic acid 1-benzyl 2-[3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl] ester
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 647
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 533.1 · 533.1±35.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- FDA UNII
- 6 UJ7024 · NUV6UJ7024
- EPA Substance Registry System
- 2 · Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate (16883-83-3)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H302-H400
- Precautionary statements
- 273 · P273-P391-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
- 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 96.6% (85 of 88) of all reports.
Not Classified
Aggregated GHS information provided per 88 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl 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 CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H302-H400
- Precautionary statements
- P273-P391-P501-P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 5,000,000 - <10,000,000 lb
Consumer UsesPlasticizer
Industry UsesPlasticizer
General Manufacturing Information
Plastics Product Manufacturing
1,2-Benzenedicarboxylic acid, 1-[2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl] 2-(phenylmethyl) ester: ACTIVE
Applications
Uses3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate is used as a plasticizer in the synthesis of rubber materials and PVC.
Suppliers10 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海陶素生化科技有限公司021-33632979 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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