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+380 (44) 537-3218 | |||
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enamine@enamine.net | |||
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+44 (1457) 860-111 | |||
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+1 (650) 278-9963 | |||
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+1 (803) 788-9494 | |||
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| Chemical manufacturer | ||||
| Classification | Chemical reagent >> Organic reagent >> Aromatic acid |
|---|---|
| Name | 5-Benzoylpentanoic Acid |
| Synonyms | 6-Oxo-6-Phenyl-Hexanoic Acid; 6-Keto-6-Phenyl-Hexanoic Acid; Aids-017961 |
| Molecular Structure |  |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.24 |
| CAS Registry Number | 4144-62-1 |
| SMILES | C1=C(C(CCCCC(O)=O)=O)C=CC=C1 |
| InChI | 1S/C12H14O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15) |
| InChIKey | AIEMSTCGCMIJTI-UHFFFAOYSA-N |
| Density | 1.1±0.1g/cm3 (Cal.) |
|---|---|
| Melting point | 77°C (Expl.) |
| Boiling point | 385.3±25.0°C at 760 mmHg (Cal.) |
| Flash point | 201.0±19.7°C (Cal.) |
| Safety Code | S26;S37 Details |
|---|---|
| Risk Code | R36/37/38 Details |
| Hazard Symbol |  X Details |
| Safety Description | WARNING: Irritates lungs, eyes, skin |
| IRRITANT | |
| SDS | Available |
| (1) | Powers RA, Morandi F, Shoichet BK. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase., Structure. 2002 Jul;10(7):1013-23 |
|---|---|
| Market Analysis Reports |
| List of Reports Available for 5-Benzoylpentanoic Acid |