| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: Phenyl acetate Phenyl acetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122-79-2 , 622-45-7 , [122-79-2]
122-79-2; Acetic acid,phenyl ester; Acetylphenol; C00548; Phenyl acetate
Acetic acid,phenyl ester; Acetylphenol; Phenol acetate; Phenyl acetate
| 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) | 1.49 | 5.72 | -7.33 | 0 | 2 | 0 | 26 | 136.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 195 | TCI |
| Boiling_Point | 195-196? | Alfa-Aesar |
| Boiling_Point | 195-196° | Alfa-Aesar |
| BP [°C] | 196 | Acros Organics |
| UniProt Database Links | APMAP_BOVIN; APMAP_HUMAN; APMAP_MOUSE; APMAP_RAT; ESTE_PSEFL; ESTE_VIBMI; PON1_HUMAN; PON1_MOUSE; PON1_RABIT; PON1_RAT; PON2_BOVIN; PON2_CANFA; PON2_CHICK; PON2_HUMAN; PON2_MELGA; PON2_MOUSE; PON2_RAT; PON3_HUMAN; PON3_MOUSE; PON3_RABIT; PON3_RAT | ChEBI |
| Patent Database Links | EP1995306; US2004229869; US2005070597; US2006194869; US2007244161; WO2005035517; WO2006071868; WO2007099432 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Reactome Database Links | REACT_6751 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
| Description | Species |
|---|---|
| Conjugation of phenylacetate with glutamine |
