Methyl cinnamate - CAS 103-26-4
Catalog: |
BB001068 |
Product Name: |
Methyl cinnamate |
CAS: |
103-26-4 |
Synonyms: |
2-Propenoic acid, 3-phenyl-, methyl ester; Cinnamic acid, methyl ester; 3-Phenyl-2-propenoic acid methyl ester; 3-Phenylacrylic acid methyl ester; Methyl 3-phenyl-2-propenoate; Methyl 3-phenylacrylate; Methyl 3-phenylpropenoate; Methyl cinnamylate; NSC 9411; SemaSORB 9815 |
Related CAS: | 403649-70-7 (Deleted CAS) 1754-62-7 (E-isomer) 19713-73-6 (Z-isomer)
|
IUPAC Name: | methyl 3-phenylprop-2-enoate |
Molecular Weight: | 162.19 |
Molecular Formula: | C10H10O2 |
Canonical SMILES: | COC(=O)C=CC1=CC=CC=C1 |
InChI: | InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3 |
InChI Key: | CCRCUPLGCSFEDV-UHFFFAOYSA-N |
Boiling Point: | 260.4°C |
Melting Point: | 36°C |
Flash Point: | >110°C |
Purity: | 95% |
Density: | 1.0672 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | White to light yellow crystals. fruity odor. |
Storage: | Store at RT |
MDL: | MFCD00008458 |
LogP: | 1.87280 |
Refractive Index: | 1.5771 |
Stability: | Stable under normal shipping and handling conditions. |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
29968805 | 20180703 | Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics | Scientific reports |
22411723 | 20120501 | Antinociceptive and antispasmodic effects of the essential oil of Ocimum micranthum: potential anti-inflammatory properties | Planta medica |
22466421 | 20120401 | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles | Nature chemical biology |
22223305 | 20120215 | Quantification of character-impacting compounds in Ocimum basilicum and 'Pesto alla Genovese' with selected ion flow tube mass spectrometry | Rapid communications in mass spectrometry : RCM |
22137251 | 20120201 | Safety assessment of Zanthoxylum alatum Roxb. essential oil, its antifungal, antiaflatoxin, antioxidant activity and efficacy as antimicrobial in preservation of Piper nigrum L. fruits | International journal of food microbiology |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 162.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.068079557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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