3-Methyl-p-anisaldehyde - CAS 32723-67-4
Catalog: |
BB021384 |
Product Name: |
3-Methyl-p-anisaldehyde |
CAS: |
32723-67-4 |
Synonyms: |
4-methoxy-3-methylbenzaldehyde |
IUPAC Name: | 4-methoxy-3-methylbenzaldehyde |
Description: | 3-Methyl-p-anisaldehyde (CAS# 32723-67-4) is used as a reagent in studies of 3-hydroxy-4,3',4',5'-tetramethoxychalcone and its analogs as potent NFκB inhibitors and their anticancer activities. |
Molecular Weight: | 150.17 |
Molecular Formula: | C9H10O2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C=O)OC |
InChI: | InChI=1S/C9H10O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3 |
InChI Key: | MYLBIQHZWFWSMH-UHFFFAOYSA-N |
Boiling Point: | 80-85 °C (1 mmHg) |
Purity: | 95 % |
Density: | 1.025 g/cm3 |
Appearance: | Clear pale yellow to green liquid |
Storage: | Store in a cool, dry place. Keep container closed when not in use. |
MDL: | MFCD00003375 |
LogP: | 1.81610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020052774-A1 | Flavone derivatives for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
WO-2020053249-A1 | Flavone compounds for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
CN-112601743-A | Flavone compounds for treating and preventing hepatitis B virus diseases | 20180914 |
EP-3849966-A1 | Flavone compounds for the treatment and prophylaxis of hepatitis b virus disease | 20180914 |
US-2021238139-A1 | Modulators of tryptophan catabolism | 20180601 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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