| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: Diethyl phthalate Diethyl phthalate
Find On: PubMed — Wikipedia — Google
CAS Number: 84-66-2
84-66-2; C14175; Diethyl 1,2-benzenedicarboxylate; Diethyl phthalate
84-66-2; D03804; Diethyl phthalate (NF)
Benzene-1,2-dicarboxylic acid diethyl ester
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.31 | 7.97 | -13.04 | 0 | 4 | 0 | 53 | 222.24 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.622 | Bitter DB |
| Melting_Point | 64? | Alfa-Aesar |
| Melting_Point | 64° | Alfa-Aesar |
| BP | 296 | TCI |
| Boiling_Point | 296-298? | Alfa-Aesar |
| Boiling_Point | 296-298° | Alfa-Aesar |
| BP [°C] | 298 - 299 | Acros Organics |
| Purity | 95% | Fluorochem |
| UniProt Database Links | AP2M1_BOVIN; AP2M1_HUMAN; AP2M1_MACFA; AP2M1_MOUSE; AP2M1_PONAB; AP2M1_RAT; DEP1A_DANRE; DEP1A_HUMAN; DEP1A_MOUSE; DEP1A_XENLA; DEP1B_CHICK; DEP1B_HUMAN; DEP1B_MACFA; DEP1B_MOUSE; DEPD4_HUMAN; DEPD5_HUMAN; DEPD5_MOUSE; DEPD7_DANRE; DEPD7_HUMAN; DEPD7_MACF | ChEBI |
| Patent Database Links | EP1533364; EP1533365; EP1588760; EP1589092; EP1607092; EP1731142; EP1854463; US2002176888; US2007178152; US2007178156; US2007178159; US2007185234; US2007189977; US2007189978; US2007190145; US2007196325; US2007196452; US2007196453; US2007196459; US20071964 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | US4202816 | IBM Patent Data |
