Homovanillyl alcohol - CAS 2380-78-1
Catalog: |
BB018195 |
Product Name: |
Homovanillyl alcohol |
CAS: |
2380-78-1 |
Synonyms: |
4-(2-hydroxyethyl)-2-methoxyphenol |
Application: |
An odorant found in strawberries, grapes and olive oil. Vanillylmethanol has high scavenging activities and inhibits homocysteine-induced endothelial cell adhesion. |
IUPAC Name: | 4-(2-hydroxyethyl)-2-methoxyphenol |
Description: | Homovanillyl alcohol is a natural phenolic compound found in strawberries, grapes and olive oil. Homovanillyl alcohol shows high scavenging activities and can inhibit homocysteine-induced endothelial cell adhesion. |
Molecular Weight: | 168.19 |
Molecular Formula: | C9H12O3 |
Canonical SMILES: | COC1=C(C=CC(=C1)CCO)O |
InChI: | InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3 |
InChI Key: | XHUBSJRBOQIZNI-UHFFFAOYSA-N |
Boiling Point: | 316.8 °C at 760 mmHg |
Melting Point: | 40 - 42 °C |
Purity: | > 95 % |
Density: | 1.2±0.1 g/cm3 |
Appearance: | Oil |
MDL: | MFCD00002903 |
LogP: | 0.93560 |
Quality Standard: | Enterprise Standard |
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 |
CN-113480499-A | Preparation method of novel all-biobased furan side group functionalized bisphenol monomer | 20210806 |
CN-112759619-A | Process for the one-pot conversion of lignocellulose to phenolic compounds, polyols and organic acids | 20210225 |
CN-112044373-A | Wood tar-wood vinegar composite base particle and preparation method and application thereof | 20200827 |
US-2021315224-A1 | Processes and methods for producing an edible cream from olives | 20200414 |
WO-2021211695-A1 | Processes and methods for producing an edible cream from olives | 20200414 |
PMID | Publication Date | Title | Journal |
22953840 | 20121201 | Picea mariana bark: a new source of trans-resveratrol and other bioactive polyphenols | Food chemistry |
22701758 | 20120101 | Dietary polyphenols as modulators of brain functions: biological actions and molecular mechanisms underpinning their beneficial effects | Oxidative medicine and cellular longevity |
21870939 | 20111101 | Ethnobotanical survey, chemical composition, and antioxidant capacity of methanolic extract of the root bark of Annona cuneata Oliv | Journal of medicinal food |
21411025 | 20110601 | Absorption and metabolism of olive oil secoiridoids in the small intestine | The British journal of nutrition |
21674039 | 20110101 | Phenylpropanoid glycoside analogues: enzymatic synthesis, antioxidant activity and theoretical study of their free radical scavenger mechanism | PloS one |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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