Guaiacol Propionate - CAS 7598-60-9
Catalog: |
BB064445 |
Product Name: |
Guaiacol Propionate |
CAS: |
7598-60-9 |
Synonyms: |
2-Methoxyphenol Propanoate; o-Methoxyphenol Propionate; Propionic Acid o-Methoxyphenyl Ester; 2-Methoxyphenyl Propionate; Guaiacyl Propionate; NSC 407845; Propionyl Guaiacolate; 2-Methoxyphenol 1-Propanoate |
IUPAC Name: | (2-methoxyphenyl) propanoate |
Description: | Guaiacol Propionate is an intermediate in the synthesis of 1-(4-Hydroxy-3-methoxyphenyl)-1-propanone (H947600), which is a derivative of Guaiacol, a precursor to various flavorants, such as eugenol and vanillin. |
Molecular Weight: | 180.2 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CCC(=O)OC1=CC=CC=C1OC |
InChI: | InChI=1S/C10H12O3/c1-3-10(11)13-9-7-5-4-6-8(9)12-2/h4-7H,3H2,1-2H3 |
InChI Key: | UYXMBPVOGLUKIV-UHFFFAOYSA-N |
Density: | 1.092-1.102 |
Solubility: | Chloroform, Dichloroform, Ethyl Acetate |
Appearance: | Light Yellow OIl |
References: | Allen, C., et al. Org. Synth., 3, 418 (1955); Esposito, L., et al. Kirk-Othmer Encyclopedia of Chemical Technology, 4th edition, 24, 812 (1997). |
Refractive Index: | 1.528-1.538 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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