CAS 347840-01-1|(2H5)Phenylmethyl benzoate
Introduction：Basic information about CAS 347840-01-1|(2H5)Phenylmethyl benzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (2H5)Phenylmethyl benzoate | ||
|---|---|---|---|
| CAS Number | 347840-01-1 | Molecular Weight | 217.275 |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 324.1±11.0 °C at 760 mmHg |
| Molecular Formula | C14H7D5O2 | Melting Point | / |
| MSDS | / | Flash Point | 147.8±0.0 °C |
Names
| Name | benzyl-d5 benzoate |
|---|---|
| Synonym | More Synonyms |
(2H5)Phenylmethyl benzoate BiologicalActivity
| Description | Benzyl benzoate-d5 is the deuterium labeled Benzyl benzoate[1]. Benzyl benzoate (Benzoic acid benzyl ester) is a fragrance ingredient in cosmetic products. Benzyl benzoate can be used for the research of Scabies and Demodex-associated inflammatory skin conditions[2][3][4]. |
|---|---|
| Related Catalog | Research Areas >>Infection |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Johnson W, et, al. Safety Assessment of Benzyl Alcohol, Benzoic Acid and its Salts, and Benzyl Benzoate. Int J Toxicol. Nov/Dec 2017;36(3_suppl):5S-30S. [3]. Jacob S, et, al. Treatment of Demodex-associated inflammatory skin conditions: A systematic review. Dermatol Ther. 2019 Nov32(6):e13103. [4]. Dressler C, et, al. The Treatment of Scabies. Dtsch Arztebl Int. 2016 Nov 14113(45):757-762. |
Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 324.1±11.0 °C at 760 mmHg |
| Molecular Formula | C14H7D5O2 |
| Molecular Weight | 217.275 |
| Flash Point | 147.8±0.0 °C |
| Exact Mass | 217.115112 |
| PSA | 26.30000 |
| LogP | 3.97 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.579 |
| InChIKey | SESFRYSPDFLNCH-DYVTXVBDSA-N |
| SMILES | O=C(OCc1ccccc1)c1ccccc1 |
Synonyms
| (H)Phenylmethyl benzoate |
| Benzene-2,3,4,5,6-d-methanol, benzoate |
