2-Phenylethyl Propionate - CAS 122-70-3
Catalog: |
BB005461 |
Product Name: |
2-Phenylethyl Propionate |
CAS: |
122-70-3 |
Synonyms: |
propanoic acid 2-phenylethyl ester; 2-phenylethyl propanoate |
IUPAC Name: | 2-phenylethyl propanoate |
Description: | 2-Phenylethyl Propionate (CAS# 122-70-3 ) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CCC(=O)OCCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
InChI Key: | HVGZQCSMLUDISR-UHFFFAOYSA-N |
Boiling Point: | 245 °C (lit.) |
Melting Point: | < 25 °C |
Flash Point: | 94.4°C |
Density: | 1.007 g/mL at 25 °C(lit.) |
Solubility: | Miscible with alcohols and ether |
Appearance: | Colorless to pale yellow clear liquid |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating fumes |
MDL: | MFCD00027008 |
LogP: | 2.18230 |
Refractive Index: | n20/D 1.493(lit.) |
Vapor Pressure: | 0.05 [mmHg] |
Publication Number | Title | Priority Date |
CN-113504316-A | Method for evaluating main body fragrance of Maillard reaction product by utilizing modular fragrance functional group | 20210531 |
CN-113200840-A | Anthraquinone compound with antibacterial activity and preparation method and application thereof | 20210519 |
JP-2021102661-A | Pest control composition and control method | 20210416 |
CN-112754070-A | Tobacco fragrance solid slow-release cigarette filter stick | 20210122 |
CN-112205659-A | Composite burnt sweet aroma flavor, baking preparation method and application | 20200928 |
PMID | Publication Date | Title | Journal |
22406565 | 20120901 | Fragrance material review on phenethyl propionate | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association |
22461383 | 20120801 | Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor | Pest management science |
21864158 | 20110101 | Distinguishing male and female Chinese rose beetles, Adoretus sinicus, with an overview of Adoretus species of biosecurity concern | Journal of insect science (Online) |
20204614 | 20100601 | Searching for monooxygenases and hydrolases in bacteria from an extreme environment | Applied microbiology and biotechnology |
19736768 | 20090801 | Field evaluation of essential oils for reducing attraction by the Japanese beetle (Coleoptera: Scarabaeidae) | Journal of economic entomology |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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