| Identification | More | [Name]
4-BENZOYLBUTYRIC ACID | [CAS]
1501-05-9 | [Synonyms]
4-BENZOYLBUTYRIC ACID
5-OXO-5-PHENYLPENTANOIC ACID
5-OXO-5-PHENYLVALERIC ACID
AKOS BB-9265
LABOTEST-BB LT00645576
TIMTEC-BB SBB007811
4-(4'-benzoyl)butyric acid
5-OXO-5-PHENYLVALERIC ACID 95+%
4-Benzoylbutyric acid, 98+%
4-Benzoylbutanoic acid
5-Phenyl-5-oxopentanoic acid
5-Phenyl-5-oxypentanoic acid
δ-Oxobenzenepentanoic acid
δ-Oxobenzenevaleric acid | [EINECS(EC#)]
216-113-5 | [Molecular Formula]
C11H12O3 | [MDL Number]
MFCD00004411 | [Molecular Weight]
192.21 | [MOL File]
1501-05-9.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to light beige crystalline powder | [Melting point ]
126-129 °C(lit.)
| [Boiling point ]
380.8±25.0 °C(Predicted) | [density ]
1.164±0.06 g/cm3(Predicted) | [form ]
Crystalline Powder | [pka]
4.63±0.10(Predicted) | [color ]
Off-white to light beige | [Water Solubility ]
Insoluble in water. | [BRN ]
641947 | [InChI]
InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) | [InChIKey]
SHKWSBAVRQZYLE-UHFFFAOYSA-N | [SMILES]
C1(=CC=CC=C1)C(=O)CCCC(=O)O | [CAS DataBase Reference]
1501-05-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
29183000 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to light beige crystalline powder | [Uses]
4-Benzoylbutyric acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 73, p. 5273, 1951 DOI: 10.1021/ja01155a078 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|