4-Methylresorcinol - CAS 496-73-1
Catalog: |
BB026781 |
Product Name: |
4-Methylresorcinol |
CAS: |
496-73-1 |
Synonyms: |
4-methylbenzene-1,3-diol |
IUPAC Name: | 4-methylbenzene-1,3-diol |
Description: | 4-Methylresorcinol (CAS# 496-73-1) is a useful research chemical. |
Molecular Weight: | 124.14 |
Molecular Formula: | C7H8O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)O)O |
InChI: | InChI=1S/C7H8O2/c1-5-2-3-6(8)4-7(5)9/h2-4,8-9H,1H3 |
InChI Key: | FNYDIAAMUCQQDE-UHFFFAOYSA-N |
Boiling Point: | 264 °C at 760 mmHg |
Melting Point: | 104-108 °C |
Purity: | 98 % |
Density: | 1.21 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00016452 |
LogP: | 1.40620 |
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 |
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PMID | Publication Date | Title | Journal |
18537130 | 20080601 | Total antioxidant capacity and content of flavonoids and other phenolic compounds in canihua (Chenopodium pallidicaule): an Andean pseudocereal | Molecular nutrition & food research |
17112241 | 20061101 | Identification of glutathione-related quercetin metabolites in humans | Chemical research in toxicology |
Complexity: | 92.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.052429494 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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