| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 4 | Yes |
2-Propanone; 67-64-1; Acetone (NF); Acetone (TN); D02311
2-Propanone; 67-64-1; Acetone; C00207; Dimethyl ketone
2-propanone; 67-64-1; acetone; dimethylketone; propanone
Acetone, 99+%, for spectroscopy
Acetone, 99.5%, for electronic use, residue free
Acetone, 99.6%, for spectroscopy ACS
Acetone, 99.8%, Extra Dry, AcroSeal§4
Acetone, 99.8%, Extra Dry, AcroSeal®
Acetone, 99.8%, for electronic use, residue free
Acetone, 99.9%, for residue analysis, ECD tested halocarbons free grade
Acetone, 99.9%, for residue analysis, for trace analysis of polyaromatic hydrocarbons
Acetone, Environmental Grade, 99.5+%
Acetone, Semiconductor Grade, 99.5%
Acetone, Spectrophotometric Grade
Acetone, Spectrophotometric Grade, 99.5+%
Acetone-d6, 100%(Isotopic), contains 0.03% v/v TMS
Acetone-d6, 99.9% (Isotopic), contains 1% v/v TMS
Acetone-d6, for NMR, 99.5 atom % D
Acetone-d6, for NMR, 99.8 atom % D, AcroSeal§4
Acetone-d6, for NMR, 99.8 atom % D, AcroSeal®
Acetone-d6, for NMR, with 0.03% TMS, 99.9 atom% D
| 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) | 0.23 | 2 | -5.31 | 0 | 1 | 0 | 17 | 58.08 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.23 | -3.7 | -111.51 | 0 | 1 | -2 | 17 | 58.08 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 93 | Acros Organics |
| Melting_Point | 94? | Alfa-Aesar |
| Melting_Point | 94° | Alfa-Aesar |
| Mp [°C] | 95 | Acros Organics |
| BP [°C] | 55 | Acros Organics |
| BP [°C] | 56 | Acros Organics |
| Boiling_Point | 56? | Alfa-Aesar |
| Boiling_Point | 56° | Alfa-Aesar |
| Purity | >99.8% | Fluorochem |
| UniProt Database Links | ACXA_XANP2; ACXB_XANP2; ACXC_XANP2; ADC1_BRADU; ADC1_RHILO; ADC2_BRADU; ADC2_RHILO; ADC3_RHILO; ADC_ACICJ; ADC_BEII9; ADC_BORA1; ADC_BURA4; ADC_BURCA; ADC_BURCC; ADC_BURCH; ADC_BURCJ; ADC_BURCM; ADC_BURM1; ADC_BURM7; ADC_BURM9; ADC_BURMA; ADC_BURP1; ADC_B | ChEBI |
| PUBCHEM_PATENT_ID | EP0350145A2; EP0838472A1; US4948795; US4987132; US5144035; US6127339 | IBM Patent Data |
| Patent Database Links | EP0776895; EP0781750; EP0787733; EP0796845; EP0802194; EP0806140; EP0811617; EP0815857; EP0818446; EP0820999; EP0822195; EP0823471; EP0842937; EP0845461; EP0845462; EP0848001; EP0867431; EP0877089; EP0909760; EP0919550; EP0926147; EP0930311; EP0940395; EP | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H336: May cause drowsiness or dizziness; H225: Highly flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking | 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 | S9: Keep container in a well-ventilated place. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place.; 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.; S46: If swallowed, seek medical advice immediately a | Acros Organics |
| PUBCHEM_PATENT_ID | WO1997001569A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.