Benzyl cinnamate - CAS 103-41-3
Catalog: |
BB001109 |
Product Name: |
Benzyl cinnamate |
CAS: |
103-41-3 |
Synonyms: |
Benzyl cinnamate; Benzyl 3-phenylpropenoate |
Application: |
BENZYL CINNAMATE (cas# 103-41-3) is a useful research chemical. |
IUPAC Name: | benzyl (E)-3-phenylprop-2-enoate |
Description: | Cinnamein is found in the barks of Cinnamomum cassia Presl, is used in heavy oriental perfumes and as a fixative. |
Molecular Weight: | 238.28 |
Molecular Formula: | C16H14O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2 |
InChI: | InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+ |
InChI Key: | NGHOLYJTSCBCGC-VAWYXSNFSA-N |
Boiling Point: | 195-200 °C (5 mmHg) |
Melting Point: | 33-37°C |
Flash Point: | 91°C |
Purity: | > 95 % |
Density: | 1.128 g/cm3 |
Appearance: | Powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004789 |
LogP: | 3.44320 |
Refractive Index: | 1.4025-1.4045 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 1 mm Hg at 173.8 °C |
GHS Hazard Statement: | H317 (99.82%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113416136-A | Application of acidic ionic liquid in catalyzing reaction of cinnamic acid and benzyl alcohol to prepare benzyl cinnamate and method for preparing benzyl cinnamate | 20210621 |
CN-113318002-A | Anti-inflammation acne-removing composition and cosmetic | 20210612 |
CN-113429420-A | Preparation method of high-sensitivity temperature-sensing reversible color-changing microcapsule | 20210609 |
KR-102284899-B1 | Cosmetic composition comprising mature peptides of Astragalus membranaceus for improving skin vitality | 20210331 |
KR-20210032368-A | Composition for anti-oxidation, anti-inflammation, anti-diabetes, or anti-wrinkle comprising extract of Summer king apple peel | 20210317 |
PMID | Publication Date | Title | Journal |
29540657 | 20180101 | Improvement of human cell line activation test (h-CLAT) using short-time exposure methods for prevention of false-negative results | The Journal of toxicological sciences |
27965148 | 20170401 | An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens | Toxicology in vitro : an international journal published in association with BIBRA |
27270453 | 20160725 | Combining in\xa0vitro and in silico approaches to evaluate the multifunctional profile of rosmarinic acid from Blechnum brasiliense on targets related to neurodegeneration | Chemico-biological interactions |
22023385 | 20111121 | 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 | Chemical research in toxicology |
21955679 | 20111101 | Novel natural product-based cinnamates and their thio and thiono analogs as potent inhibitors of cell adhesion molecules on human endothelial cells | European journal of medicinal chemistry |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 238.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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