Name: Name:Benzyl cinnamate
Brand: AABLOCKS
SKU: AA003O1A
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003O1A

Chemical Name: Benzyl cinnamate

CAS Number: 103-41-3

Molecular Formula: C16H14O2

Molecular Weight: 238.2812

MDL Number: MFCD00004789

SMILES: O=C(/C=C/c1ccccc1)OCc1ccccc1

FEMA Number: 2142

Properties

BP: 195-200 °C5 mm Hg(lit.)

Form: Liquid

MP: 34-37 °C(lit.)

Refractive Index: 1.4025-1.4045

Solubility: alcohol: soluble(lit.)

Storage: Keep in dry area;Room Temperature;

Complexity: 271

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 1

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.8

Literature fold

Title: Improvement of human cell line activation test (h-CLAT) using short-time exposure methods for prevention of false-negative results.

Journal: The Journal of toxicological sciences20180101

Title: An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20170401

Title: Combining in vitro and in silico approaches to evaluate the multifunctional profile of rosmarinic acid from Blechnum brasiliense on targets related to neurodegeneration.

Journal: Chemico-biological interactions20160725

Title: Relating skin sensitizing potency to chemical reactivity: reactive Michael acceptors inhibit NF-κB signaling and are less sensitizing than S(N)Ar- and S(N)2- reactive chemicals.

Journal: Chemical research in toxicology20111121

Title: Novel natural product-based cinnamates and their thio and thiono analogs as potent inhibitors of cell adhesion molecules on human endothelial cells.

Journal: European journal of medicinal chemistry20111101

Title: Propolis specimens from different locations of central Italy: chemical profiling and gas chromatography-mass spectrometry (GC-MS) quantitative analysis of the allergenic esters benzyl cinnamate and benzyl salicylate.

Journal: Journal of agricultural and food chemistry20110112

Title: A new in vitro method for identifying chemical sensitizers combining peptide binding with ARE/EpRE-mediated gene expression in human skin cells.

Journal: Cutaneous and ocular toxicology20100901

Title: Study on the constituents of Mexican propolis and their cytotoxic activity against PANC-1 human pancreatic cancer cells.

Journal: Journal of natural products20100423

Title: Inhibitory effects of benzyl benzoate and its derivatives on angiotensin II-induced hypertension.

Journal: Bioorganic & medicinal chemistry20080815

Title: Fragrance material review on benzyl cinnamate.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20070101

Title: Esters, amides and substituted derivatives of cinnamic acid: synthesis, antimicrobial activity and QSAR investigations.

Journal: European journal of medicinal chemistry20041001

Title: Acaricidal activity of tonka bean extracts. Synthesis and structure-activity relationships of bioactive derivatives.

Journal: Journal of natural products20030501

Title: Bhatia SP, et al. Fragrance material review on benzyl cinnamate. Food Chem Toxicol. 2007;45 Suppl 1:S40-8. Epub 2007 Sep 14.

103-41-3 | Benzyl cinnamate