Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate

Base Information

• Chemical Name: Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate
• CAS No.: 16883-83-3
• Molecular Formula: C27H34 O6
• Molecular Weight: 454.55526
• European Community (EC) Number: 240-920-1
• UNII: NUV6UJ7024
• DSSTox Substance ID: DTXSID4027785
• Nikkaji Number: J106.001E
• Wikidata: Q27285060
• Mol file: 16883-83-3.mol

Synonyms:16883-83-3;Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate;Benzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthalate;EINECS 240-920-1;1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate;NUV6UJ7024;1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester;Benzyl 2,2-dimethyl-1-isopropyl-3-(2-methyl-1-oxopropoxy)propyl phthalate;1,2-Benzenedicarboxylic acid, 1-(2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl) 2-(phenylmethyl) ester;Phthalic acid, benzyl 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester isobutyrat;Phthalic acid, benzyl 3-hydroxy-1-isopropyl-2,2-dimethylpropyl ester isobutyrate;benzyl 3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl phthalate;UNII-NUV6UJ7024;SCHEMBL159120;DTXSID4027785;LS-165102;EC 240-920-1;W-109172;Q27285060;benzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthal;Benzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropylphthalate;1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-(BENZYL PHTHALATE) ISOBUTYRATE;benzyl 2-[({2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl}oxy)carbonyl]benzoate;ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZYL PHTHALATE;Phthalic acid 1-benzyl 2-(1-isobutyryloxy-2,2,4-trimethylpentan-3-yl) ester;1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl) -3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester

Chemical Property of Benzyl (1-(isobutyryloxy)-2,2,4-trimethylpentan-3-yl) phthalate

Chemical Property:

• Vapor Pressure: 4.9E-09mmHg at 25°C
• Boiling Point: 533.1°Cat760mmHg
• Flash Point: 225°C
• PSA: 78.90000
• Density: 1.102g/cm³
• LogP: 5.45040
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 454.23553880
• Heavy Atom Count: 33
• Complexity: 647

Purity/Quality:

98% ^*data from raw suppliers

3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
• Uses: 3-Hydroxy-2,2,4-trimethylpentyl Ester Benzyl Phthalate is used as a plasticizer in the synthesis of rubber materials and PVC.