In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 8 | Yes |
Popular Name: Anisole Anisole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-66-3 , 25013-16-5 , [25013-16-5]
100-66-3; Anisole; C01403; Methoxybenzene; Methyl phenyl ether; Phenol methyl ether
100-66-3; CPD-395; anisole; methoxybenzene; methyl phenyl ether; phenol methyl ether
2(3)-t-Butylhydroquinone monomethyl ether
Anisole, 99%, Extra Dry, AcroSeal®
Anisole; Methoxybenzene; bmse010217
Butylated hydroxyanisole, 99%+
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) | 1.99 | 3.79 | -3.44 | 0 | 1 | 0 | 9 | 108.14 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 37 | Acros Organics |
Melting_Point | 37? | Alfa-Aesar |
Melting_Point | 37° | Alfa-Aesar |
Boiling_Point | 153-154? | Alfa-Aesar |
Boiling_Point | 153-154° | Alfa-Aesar |
BP [°C] | 154 | Acros Organics |
BP | 154° | Oakwood Chemical |
Purity | >99% | Fluorochem |
Patent Database Links | EP0791580; EP0958861; EP1092712; EP1229012; EP1331005; EP1375468; EP1422213; EP1426358; EP1435357; EP1454899; EP1574509; EP1577310; EP1586578; EP1604649; EP1604694; EP1661891; EP1674444; EP1688431; EP1873152; EP1894926; EP1913941; EP1953140; EP1964843; GB | ChEBI |
H phrase | H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking | Acros Organics |
H phrase | H332: Harmful if inhaled | Acros Organics |
UniProt Database Links | OR24A_DROME; OR30A_DROME; OR45B_DROME; OR59A_DROME; OR67B_DROME; OR74A_DROME | ChEBI |
P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower; P403 + P233: Store in a well-ven | Acros Organics |
P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
R phrase | R10: Flammable. | Acros Organics |
R phrase | R10: Flammable.; R66: Repeated exposure may cause skin dryness or cracking. | 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 |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.