| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 8 | Yes |
Popular Name: 2-Methylbutyric acid methyl ester 2-Methylbutyric acid methyl ester
Find On: PubMed — Wikipedia — Google
CAS Number: 868-57-5
| 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) | 1.80 | 4.23 | -4.57 | 0 | 2 | 0 | 26 | 116.16 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 113-115° | Oakwood Chemical |
| Boiling_Point | 114-116? | Alfa-Aesar |
| Boiling_Point | 114-116° | Alfa-Aesar |
| BP | 115 | TCI |
| BP | 115° | Oakwood Chemical |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| H phrase | H225: Highly flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin | Acros Organics |
| R phrase | R11: Highly flammable.; R36/38: Irritating to eyes and skin. | Acros Organics |
