CAS 347840-02-2|(2H5)Phenylmethyl (2E)-3-phenylacrylate

Introduction：Basic information about CAS 347840-02-2|(2H5)Phenylmethyl (2E)-3-phenylacrylate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name(2H5)Phenylmethyl (2E)-3-phenylacrylate
CAS Number347840-02-2Molecular Weight243.312
Density1.1±0.1 g/cm3Boiling Point371.2±11.0 °C at 760 mmHg
Molecular FormulaC16H9D5O2Melting Point/
MSDS/Flash Point225.7±10.4 °C

Names

Namebenzyl-d5 cinnamate
SynonymMore Synonyms

(2H5)Phenylmethyl (2E)-3-phenylacrylate BiologicalActivity

DescriptionBenzyl cinnamate-d5 is the deuterium labeled Benzyl cinnamate[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[2].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
In VitroStable 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]. Bhatia SP, et al. Fragrance material review on benzyl cinnamate. Food Chem Toxicol. 2007;45 Suppl 1:S40-8. Epub 2007 Sep 14.  

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point371.2±11.0 °C at 760 mmHg
Molecular FormulaC16H9D5O2
Molecular Weight243.312
Flash Point225.7±10.4 °C
Exact Mass243.130768
PSA26.30000
LogP3.65
Vapour Pressure0.0±0.8 mmHg at 25°C
Index of Refraction1.608
InChIKeyNGHOLYJTSCBCGC-HJQJAGLWSA-N
SMILESO=C(C=Cc1ccccc1)OCc1ccccc1

Synonyms

(H)Phenylmethyl (2E)-3-phenylacrylate
2-Propenoic acid, 3-phenyl-, phenyl-d-methyl ester, (2E)-
CAS 347840-01-1|(2H5)Phenylmethyl benzoate
CAS 347840-08-8|2-Methylsuccinic acid-d6
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