Ethyl homovanillate - CAS 60563-13-5
Catalog: |
BB030731 |
Product Name: |
Ethyl homovanillate |
CAS: |
60563-13-5 |
Synonyms: |
ethyl 2-(4-hydroxy-3-methoxyphenyl)acetate |
IUPAC Name: | ethyl 2-(4-hydroxy-3-methoxyphenyl)acetate |
Description: | Ethyl homovanillate (CAS# 60563-13-5) is a useful research chemical. |
Molecular Weight: | 210.23 |
Molecular Formula: | C11H14O4 |
Canonical SMILES: | CCOC(=O)CC1=CC(=C(C=C1)O)OC |
InChI: | InChI=1S/C11H14O4/c1-3-15-11(13)7-8-4-5-9(12)10(6-8)14-2/h4-6,12H,3,7H2,1-2H3 |
InChI Key: | AWPMWZHWVKXADV-UHFFFAOYSA-N |
Boiling Point: | 180-185 °C / 14 mmHg (lit.) |
Density: | 1.16 g/cm3 |
Appearance: | White to pale yellowish crystalline powder |
MDL: | MFCD00009180 |
LogP: | 1.50640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021007352-A1 | Synthesis and formulation of lignin derived compounds as treatment of plant diseases | 20190708 |
WO-2020249216-A1 | A cooling preparation | 20190613 |
WO-2020217209-A1 | Method of depolymerising phenolic polymers | 20190425 |
WO-2019063069-A1 | AMIDE FOR THE PRODUCTION OF A TRIGEMINAL EFFECT | 20170927 |
EP-3687311-A1 | Amides for generating a trigeminal effect | 20170927 |
PMID | Publication Date | Title | Journal |
22523636 | 20120101 | Multiple tyrosine metabolites are GPR35 agonists | Scientific reports |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08920892 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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