| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 2-phenylbutanoic acid 2-phenylbutanoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101-97-3 , 4286-15-1 , 90-27-7 , 90-27-7 (phenylbutyric ac , 90-27-7 (phenylbutyric acid) , 938-79-4 , [90-27-7]
(+/-)-2-Phenylbutyric acid, 98%
(+/-)-alpha-Ethylphenylacetic acid
(R)-(-)-2-Phenylbutyric acid, 98+%
(R)-(-)-2-Phenylbutyric acid, 99%
(R)-(-)-?-Ethylphenylacetic acid
(R)-(-)-alpha-Ethylphenylacetic acid
(R)-(-)-^a-Ethylphenylacetic acid
2-PHENYL BUTYRAMIDE; [90-26-6]
| 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) | 2.51 | 7.05 | -47.07 | 0 | 2 | -1 | 40 | 163.196 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 130 (p=2.25 torr) | Acros Organics |
| Boiling_Point | 270-272? | Alfa-Aesar |
| Boiling_Point | 270-272° | Alfa-Aesar |
| BP | 272 | TCI |
| Melting_Point | 40-44? | Alfa-Aesar |
| Melting_Point | 40-44° | Alfa-Aesar |
| MP | 43 | TCI |
| MP | 48 - 50 | Enamine Building Blocks |
| MP | 48...50 | Enamine Building Blocks |
| MP | 83-85o C | Indofine |
| MP | 83-87 °C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| Therapy | antihyperlipidemic | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0780730A2 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation | 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | 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 |
| SOLUBILITY | Soluble in sparingly in cold water:in boiling water & freely in methanol | Indofine |
| Hazard | XN: Harmful | Acros Organics |
