Basic information
- CAS
63133-89-1- Standard SMILES
CCOC(=O)CC(O)c1ccc(C(O)CC(=O)OCC)cc1- InChIKey
YQKIPPOWPUMQJF-UHFFFAOYSA-N- Molecular formula
- C16H22O6
- Average molar mass
- 310.34 g/mol
- Monoisotopic mass
- 310.14163842
Names & identifiers
- Preferred name
- 1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl ester
- IUPAC
- ethyl 3-[4-(3-ethoxy-1-hydroxy-3-oxopropyl)phenyl]-3-hydroxypropanoate
- English name
- diethyl beta,beta'-dihydroxybenzene-1,4-dipropionate
- Molecular formula
- C16H22O6
- Molecular weight
- 310.34
Names & synonyms
EINECS 263-900-41,4-Benzenedipropanoic acid, beta,beta'-dihydroxy-, diethyl ester1,4-Benzenedipropanoic acid, beta1,beta4-dihydroxy-, 1,4-diethyl esterRefChem:4162981,4-Benzenedipropanoic acid, .beta.1,.beta.4-dihydroxy-, 1,4-diethyl ester63133-89-1Diethyl beta,beta'-dihydroxybenzene-1,4-dipropionateDTXSID60979102YQKIPPOWPUMQJF-UHFFFAOYSA-N1,4-Benzenedipropanoic acid, .beta.,.beta.'-dihydroxy-, diethyl esterDB-297174NS00055634
Show more names
β,β'-Dihydroxy-1,4-benzenedipropionic acid diethyl ester3,3'-(p-Phenylene)bis(3-hydroxypropionic acid ethyl) ester1,4-Benzenedipropanoic acid, β1,β4-dihydroxy-, 1,4-diethyl ester
Diethyl 3,3'-(1,4-phenylene)bis(3-hydroxypropanoate)
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 43 · 43-45 °C
- Boiling point
- 458.6 · 458.6±40.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.20(Predicted)
- EPA Substance Registry System
- 1 · 1,4-Benzenedipropanoic acid, .beta.,.beta.'-dihydroxy-, diethyl ester (63133-89-1)
- 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-dihydroxy-, 1,4-diethyl ester: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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