In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 9 | Yes |
Popular Name: 3-ETHYLTOLUENE 3-ETHYLTOLUENE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 620-14-4 , [620-14-4]
1-Ethyl-3-methylbenzene(3-ethyltoluene)
1-Methyl-3-ethylbenzene; 3-Ethyltoluene; 620-14-4; C14522
1-Methyl-3-ethylbenzene; m-Ethylmethylbenzene; m-Ethyltoluene; m-Methylethylbenzene
Alpha - Methyl-3-(Trifluoromethylbenzyl Bromide [68120-41-2]
Alpha-Methyl-3-(Trifluoromethylbenzyl Alcohol [454-91-1]; (1-[3-(Trifluoromethyl)Phenyl]ethanol)
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) | 3.28 | 2 | -1.83 | 0 | 0 | 0 | 0 | 120.195 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 96? | Alfa-Aesar |
Melting_Point | 96° | Alfa-Aesar |
Boiling_Point | 158-159? | Alfa-Aesar |
Boiling_Point | 158-159° | Alfa-Aesar |
BP | 160 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
H phrase | H226: Flammable liquid and vapor | Acros Organics |
P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P403 + P233: Store in a well-ventilated place. Keep container tightly closed | Acros Organics |
R phrase | R10: Flammable. | Acros Organics |
S phrase | S16: Keep away from sources of ignition - No smoking.; S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.