Mono(2-ethylhexyl) terephthalate

Base Information

• Chemical Name: Mono(2-ethylhexyl) terephthalate
• CAS No.: 155603-50-2
• Molecular Formula: C16H22 O4
• Molecular Weight: 278.34348
• UNII: MRK5E97B18
• DSSTox Substance ID: DTXSID80935240
• Nikkaji Number: J586.020B
• Wikidata: Q27284193
• Metabolomics Workbench ID: 87179
• Mol file: 155603-50-2.mol

Synonyms:155603-50-2;4-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid;Mono(2-ethylhexyl) terephthalate;4-(2-ethylhexoxycarbonyl)benzoic acid;MRK5E97B18;Terephthalic acid, mono-2-ethylhexyl ester;4-{[(2-ethylhexyl)oxy]carbonyl}benzoic acid;CCRIS 7053;Mono(ethylhexyl)terephthalate;1,4-Benzenedicarboxylic acid, 1-(2-ethylhexyl) ester;2-ethylhexyl terephthalate;UNII-MRK5E97B18;SCHEMBL108086;DTXSID80935240;CHEBI:165208;Mono-(2-ethylhexyl) terephthalate;MFCD02752454;AKOS024262241;CS-W006369;DS-3190;4-(((2-Ethylhexyl)oxy)carbonyl)benzoicacid;FT-0699429;2-ETHYLHEXYL MONOHYDROGEN TEREPHTHALATE;F19851;A883639;MONO(2-ETHYLHEXYL) TEREPHTHALATE, (+/-)-;Q27284193

Chemical Property of Mono(2-ethylhexyl) terephthalate

Chemical Property:

• Vapor Pressure: 1.78E-07mmHg at 25°C
• Boiling Point: 410.6°Cat760mmHg
• PKA: 3.75±0.10(Predicted)
• Flash Point: 144.8°C
• PSA: 63.60000
• Density: 1.088g/cm³
• LogP: 3.75800
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 306

Purity/Quality:

98%Min ^*data from raw suppliers

Mono(2-ethylhexyl)Terephthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)O
• Uses: Mono(2-ethylhexyl) Terephthalate is a plasticizer for poly(vinyl chlorides) and a metabolite of di(2-ethylhexyl) terephthalate (DEHT) which has been found not to be genotoxic.