| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 5 | Yes |
Popular Name: Methyl acetate Methyl acetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10312-83-1 , 79-20-9
79-20-9; C17530; Devoton; Methyl acetate; Tereton
79-20-9; METHYL-ACETATE; methylacetate
Methyl Acetate [Standard Material for GC]
Methyl acetate, 99%, extra pure
| 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) | 0.39 | 2.16 | -5.41 | 0 | 2 | 0 | 26 | 74.079 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.068 | Bitter DB |
| Mp [°C] | 98 | Acros Organics |
| Melting_Point | 98? | Alfa-Aesar |
| Melting_Point | 98° | Alfa-Aesar |
| Boiling_Point | 56-58? | Alfa-Aesar |
| Boiling_Point | 56-58° | Alfa-Aesar |
| BP | 57 | TCI |
| BP [°C] | 57.4 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0307886A2; EP0307886B1; US4965005 | IBM Patent Data |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| H phrase | H336: May cause drowsiness or dizziness | Acros Organics |
| H phrase | H336: May cause drowsiness or dizziness; H319: Causes serious eye irritation; H225: Highly flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R36: Irritating to eyes.; R66: Repeated exposure may cause skin dryness or cracking.; R67: Vapours may cause drowsiness and dizziness. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains.; S33: Take precautionary measures against static discharges. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.