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| IUPAC Name: | benzyl 7-hydroxyheptanoate |
| Description: | 7-Hydroxyheptanoic Acid Phenylmethyl Ester is an intermediate used to prepare 5-Carboxyhexyl Phthalate (C178560), a metabolite of Dibutyl phthalate (DBP) (D429495), which is widely used in consumer products. |
| Molecular Weight: | 236.31 |
| Molecular Formula: | C14H20O3 |
| Canonical SMILES: | C1=CC=C(C=C1)COC(=O)CCCCCCO |
| InChI: | InChI=1S/C14H20O3/c15-11-7-2-1-6-10-14(16)17-12-13-8-4-3-5-9-13/h3-5,8-9,15H,1-2,6-7,10-12H2 |
| InChI Key: | QOHOZLMRQAWMDY-UHFFFAOYSA-N |
| References: | Silva, M., et al. Arch. Toxicol., 77, 561 (2003), Silva, M., et al. Toxicology, 210, 123 (2005), Silva, M., et al. J. Anal. Toxicol., 29, 819, (2005). |
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