4-Hydroxy-3-methoxyphenylacetone - CAS 2503-46-0
Catalog: |
BB018715 |
Product Name: |
4-Hydroxy-3-methoxyphenylacetone |
CAS: |
2503-46-0 |
Synonyms: |
1-(4-hydroxy-3-methoxyphenyl)propan-2-one |
IUPAC Name: | 1-(4-hydroxy-3-methoxyphenyl)propan-2-one |
Description: | 4-Hydroxy-3-methoxyphenylacetone (CAS# 2503-46-0) is often found in wine that has been aged in wood barrels contributing to the wine's flavor profile. It is also released during combustion, giving flavor to smoked meats. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | CC(=O)CC1=CC(=C(C=C1)O)OC |
InChI: | InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3 |
InChI Key: | LFVCJQWZGDLHSD-UHFFFAOYSA-N |
Boiling Point: | 126 °C (0.3 torr) |
Purity: | 95 % |
Density: | 1.138 g/cm3 |
Appearance: | Yellow liquid |
MDL: | MFCD00130260 |
LogP: | 1.53230 |
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 |
WO-2021058483-A1 | Process for producing lignin components from lignocellulosic biomass | 20190923 |
WO-2020174271-A1 | An improved and commercially viable process for preparation of aryl ketones | 20190228 |
CN-113490659-A | Improved and economically viable process for preparing aryl ketones | 20190228 |
US-2020263215-A1 | Microorganisms and methods for producing 2-pyrone-4,6-dicarboxylic acid and other compounds | 20190220 |
JP-2020025521-A | Bitterness suppressant | 20180816 |
Complexity: | 179 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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