| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 9 | Yes |
Popular Name: 2-acetyl-5-methylthiophene 2-acetyl-5-methylthiophene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13679-74-8 , [13679-74-8]
1-(5-Methyl-2-thienyl)ethan-1-one
1-(5-methylthiophen-2-yl)ethanone
| 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) | 1.96 | 4.81 | -6.33 | 0 | 1 | 0 | 17 | 140.207 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 172.3 - 172.5 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 24-28? | Alfa-Aesar |
| Melting_Point | 24-28° | Alfa-Aesar |
| Boiling_Point | 65-67?/1mm | Alfa-Aesar |
| Boiling_Point | 65-67°/1mm | Alfa-Aesar |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
