In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 6 | No |
107-87-9; 2-Pentanone; C01949; Methyl propyl ketone; Pentan-2-one
2-Pentanone, 99+%, purified by redistillation, AcroSeal®
CHEBI:7978; CHEBI:14748; CHEBI:25886
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) | 1.30 | 3.55 | -4.95 | 0 | 1 | 0 | 17 | 86.134 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 78 | Acros Organics |
Melting_Point | 78? | Alfa-Aesar |
Melting_Point | 78° | Alfa-Aesar |
BP [°C] | 100 - 103 | Acros Organics |
Boiling_Point | 100-101? | Alfa-Aesar |
Boiling_Point | 100-101° | Alfa-Aesar |
BP | 101 | TCI |
Patent Database Links | EP0775703; EP1077214; EP1229031; EP1253147; EP1505072; EP1712541; EP1772455; US2002058713; US2002099099; US2003176507; US2003229142; US2004019119; US2004044085; US2005159594; US2006035950; US2008233621; WO2005009986; WO2005014569; WO2005019199; WO20050876 | ChEBI |
Hazard | F: Highly flammable | Acros Organics |
Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
H phrase | H302: Harmful if swallowed | Acros Organics |
H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H225: Highly flammable liquid and vapor | Acros Organics |
UniProt Database Links | OPH_PSESP; OPH_SPHS1 | ChEBI |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
R phrase | R11: Highly flammable. | Acros Organics |
R phrase | R11: Highly flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |