Methyl trans-cinnamate - CAS 1754-62-7
Catalog: |
BB013142 |
Product Name: |
Methyl trans-cinnamate |
CAS: |
1754-62-7 |
Synonyms: |
2-Propenoic acid, 3-phenyl-, methyl ester, (2E)-; 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-; Cinnamic acid, methyl ester, (E)-; (2E)-3-Phenyl-2-propenoic acid methyl ester; (E)-3-Phenyl-2-propenoic acid methyl ester; (E)-3-Phenylacrylic acid methyl ester; (E)-Methyl 3-phenylacrylate; (E)-Methyl cinnamate; Methyl (2E)-3-phenylpropenoate; Methyl (E)-3-phenyl-2-propenoate; Methyl (E)-3-phenylprop-2-enoate; Methyl (E)-3-phenylpropenoate; Methyl (E)-cinnamate; Methyl trans-3-phenyl-2-propenoate; trans-3-Phenyl-2-propenoic acid methyl ester; trans-Cinnamic acid methyl ester; trans-Cinnamic acid methyl ester; trans-Methyl 3-phenyl-2-propenoate; trans-Methyl cinnamate |
Related CAS: | 925685-28-5 (Deleted CAS) 103-26-4 (rac-isomer) 19713-73-6 (Z-isomer)
|
IUPAC Name: | methyl (E)-3-phenylprop-2-enoate |
Description: | Methyl cinnamate (CAS# 1754-62-7) is one of the odour active compounds of Tahitian vanilla flavour and basil oil. Methyl trans-Cinnamate is naturally found in Magnolia liliflora oil, which is used to create a variety of nematicides. Methyl trans-Cinnamate also inhibits mushroom tyrosinase and has antimicrobial effects against Escherechia coli in food. |
Molecular Weight: | 162.18 |
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/b8-7+ |
InChI Key: | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
Boiling Point: | 129-130°C at 17 Torr |
Melting Point: | 35°C |
Purity: | ≥95% |
Density: | 1.078±0.06 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00008458 |
LogP: | 1.87280 |
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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