2-Phenylbutyric acid
2-Phenylbutyric acid
CAS: 90-27-7
Molecular Formula: C10H12O2
2-Phenylbutyric acid - Names and Identifiers
| Name | 2-Phenylbutyric acid |
| Synonyms | 2-phenyl-butyricaci RARECHEM AL BO 0093 2-Phenylbutyric acid alpha-phenylbutyricacid Butyric acid, 2-phenyl- alpha-Phenylbutyric acid A-ETHYLPHENYLACETIC ACID Phenobarbital Impurity 3 alpha-Toluic acid, alpha-ethyl- |
| CAS | 90-27-7 |
| EINECS | 201-982-5 |
| InChI | InChI=1/C26H43NO6/c1-5-6-14(2)16-7-8-17-21-18(12-20(29)25(16,17)4)24(3)9-10-26(33,27-22(30)23(31)32)13-15(24)11-19(21)28/h14-21,28-29,33H,5-13H2,1-4H3,(H,27,30)(H,31,32)/t14-,15?,16-,17?,18?,19+,20+,21?,24+,25-,26-/m1/s1 |
2-Phenylbutyric acid - Physico-chemical Properties
| Molecular Formula | C10H12O2 |
| Molar Mass | 164.2 |
| Density | 1.23g/cm3 |
| Melting Point | 39-42℃ |
| Boling Point | 270-272 °C (lit.) |
| Flash Point | >230 °F |
| Water Solubility | insoluble |
| Solubility | Soluble in ethanol, acetone, ether, benzene, insoluble in water |
| Appearance | White crystal |
| Storage Condition | 2-8℃ |
| Refractive Index | 1.574 |
| MDL | MFCD00002667 |
| Physical and Chemical Properties | Appearance white solid |
| Use | Pharmaceutical Intermediates |
2-Phenylbutyric acid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed |
| Safety Description | S22 - Do not breathe dust. S36 - Wear suitable protective clothing. |
2-Phenylbutyric acid - Upstream Downstream Industry
2-Phenylbutyric acid - Security information
| WGK Germany | 3 |
| RTECS number | ET5957500 |
| TSCA | Yes |
| customs code | 29163900 |
| Toxicity | LD50 orl-mus: 1154 mg/kg BCFAAI 100,143,61 |
Last Update：2024-04-10 22:29:15
2-Phenylbutyric acid - Nature
| storage conditions | Sealed in dry,Room Temperature |
| acidity coefficient (pKa) | 4.34±0.10(Predicted) |
| color | White adhering crystalline powder |
| water solubility | insoluble |
| BRN | 509876 |
| NIST chemical information | Benzeneacetic acid, «alpha»-ethyl-(90-27-7) |
| EPA chemical information | Benzeneacetic acid, .alpha.-ethyl- (90-27-7) |
Last Update：2024-04-09 20:52:54
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View History
Raw Materials for 2-Phenylbutyric acid
1-Propanone, 1-phenyl-, one
2-PHENYLBUTYRONITRILE
TRANS-BETA-METHYLSTYRENE
β-Methylstyrene
2-PHENYLBUTYRIC ACID ANHYDRIDE
N-PROPYLBENZENE
2-PHENYLBUTYRONITRILE
TRANS-BETA-METHYLSTYRENE
β-Methylstyrene
2-PHENYLBUTYRIC ACID ANHYDRIDE
N-PROPYLBENZENE
Downstream Products for 2-Phenylbutyric acid
2-(4-NITROPHENYL)BUTYRIC ACID
α-(p-Aminophenyl)butyric acid
2-Benzylpropionic acid
(R)-(-)-2-PHENYLBUTYRIC ACID
2-Phenylbutyryl chloride
(S)-(+)-2-PHENYLBUTYRIC ACID
α-(p-Aminophenyl)butyric acid
2-Benzylpropionic acid
(R)-(-)-2-PHENYLBUTYRIC ACID
2-Phenylbutyryl chloride
(S)-(+)-2-PHENYLBUTYRIC ACID