Basic information
- CAS
93-94-7- Standard SMILES
CCOC(=O)CC(=O)c1ccc(C(=O)CC(=O)OCC)cc1- InChIKey
OQMWAQGCEOMWNZ-UHFFFAOYSA-N- Molecular formula
- C16H18O6
- Average molar mass
- 306.31 g/mol
- Monoisotopic mass
- 306.11033829
Names & identifiers
- Preferred name
- Diethyl terephthaloyldiacetetate
- IUPAC
- ethyl 3-[4-(3-ethoxy-3-oxopropanoyl)phenyl]-3-oxopropanoate
- English name
- DIETHYL TEREPHTHALOYLDIACETATE
- Molecular formula
- C16H18O6
- Molecular weight
- 306.31
Names & synonyms
Diethyl terephthaloylbisacetate93-94-7Diethyl terephthaloyldiacetetateTerephthaloyldiacetic acid, diethyl ester245KPZ3W9RAcetic acid, terephthaloyldi-, diethyl esterEINECS 202-289-0NSC 50655NSC-50655Diethyl beta,beta'-dioxobenzene-1,4-dipropionateDTXSID40590951,4-Benzenedipropanoic acid, beta,beta'-dioxo-, diethyl ester
Show more names
DIETHYL TEREPHTHALOYLDIACETATETEREPHTHALOYLBIS(ETHYL ACETATE)β,β'-Dioxo-1,4-benzenedipropanoic acid diethyl ester4-benzenedipropanoicacid,beta,beta’-dioxo-diethylester3,3'-(1,4-Phenylene)bis(3-oxopropionic acid ethyl) ester1,4-Benzenedipropanoic acid, β1,β4-dioxo-, 1,4-diethyl esterethyl 3-[4-(3-ethoxy-3-oxo-propanoyl)phenyl]-3-oxo-propanoate3-[4-(3-ethoxy-3-keto-propanoyl)phenyl]-3-keto-propionic acid ethyl ester
1,4-Benzenedipropanoic acid, beta1,beta4-dioxo-, 1,4-diethyl esterRefChem:587286DTXCID5048845Acetic acid, terephthaloyldi-, diethyl ester (8CI)1,4-Benzenedipropanoic acid, .beta.1,.beta.4-dioxo-, 1,4-diethyl ester202-289-0ethyl 3-[4-(3-ethoxy-3-oxopropanoyl)phenyl]-3-oxopropanoate448960-16-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 427.6 · 427.6±30.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 8.75 · 8.75±0.25(Predicted)
- FDA UNII
- 245 KPZ3W9R · 245KPZ3W9R
- EPA Substance Registry System
- Diethyl terephthaloyldiacetetate (93-94-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedipropanoic acid, .beta.1,.beta.4-dioxo-, 1,4-diethyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers4 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海旭晗化学科技有限公司15921303235 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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