Isobutyl Cinnamate - CAS 122-67-8
Catalog: |
BB005454 |
Product Name: |
Isobutyl Cinnamate |
CAS: |
122-67-8 |
Synonyms: |
(E)-3-phenyl-2-propenoic acid 2-methylpropyl ester; 2-methylpropyl (E)-3-phenylprop-2-enoate |
Application: |
This product is suitable for scientific research. |
IUPAC Name: | 2-methylpropyl (E)-3-phenylprop-2-enoate |
Description: | Isobutyl Cinnamate (CAS# 122-67-8) is a useful research chemical. |
Molecular Weight: | 204.26 |
Molecular Formula: | C13H16O2 |
Canonical SMILES: | CC(C)COC(=O)C=CC1=CC=CC=C1 |
InChI: | InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+ |
InChI Key: | IQZUZPKOFSOVET-CMDGGOBGSA-N |
Boiling Point: | 287 °C (lit.) |
Flash Point: | 113 °C(235.4 °F) |
Purity: | ≥ 98 % |
Density: | 1 g/mL at 25 °C (lit.) |
Solubility: | water, 25.75 mg/L @ 25 °C (est) |
Appearance: | Colorless to pale yellow clear liquid (est) |
MDL: | MFCD00038289 |
LogP: | 2.89900 |
Quality Standard: | 100 |
Refractive Index: | 1.54 (lit.) |
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PMID | Publication Date | Title | Journal |
18036714 | 20070101 | Fragrance material review on isobutyl cinnamate | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 204.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.115029749 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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