Phthalic Acid Diethyl Ester
Phthalic_acid_diethyl_ester synonyms
Phthalic acid, diethyl ester; Diethyl phthalate; Diethyl o-phthalate; diethyl benzene-1,2-dicarboxylate; Unimoll DA; Diethyl o-phenylenediacetate; Diethyl 1,2-benzenedicarboxylate; Solvanol; Phthalol; o-Benzenedicarboxylic acid diethyl ester; 1,2-benzenedicarboxylic acid, diethyl ester
Graphical representations:
View large 3D structure
Molecular Formula: C12H14O4
Natural Isotopic Abundance Mass: 222.23716
Mono-Isotopic Molecular Masses:
- C12N14: 222.0892089378
- C13N14: 234.1294669914
- C12N15: 222.0892089378
- C13N15: 234.1294669914
InChI string: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
PubChem Compound (CID): 6781CAS Registry number: 84-66-2
MMCD: cq_07985
CAS Registry number: 68988-18-1 84-66-2
EPA DSSTox: 39219
ChEBI: CHEBI:34698
HSDB: 926
ZINC: ZINC00001287
ChemIDplus: 068988181
ChEMBL: CHEMBL388558
ChemSpider: 13924934
EINECS: 201-550-6
CCRIS: 2675
NMRShiftDB: 10008631
KEGG Compound ID: C14175
Beilstein Handbook Reference: 4-09-00-03172
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)