3-Methylcatechol - CAS 488-17-5
Catalog: |
BB026599 |
Product Name: |
3-Methylcatechol |
CAS: |
488-17-5 |
Synonyms: |
2,3-dihydroxytoluene |
IUPAC Name: | 3-methylbenzene-1,2-diol |
Description: | 3-Methylcatechol is isolated from Phellinus igniarius. |
Molecular Weight: | 124.14 |
Molecular Formula: | C7H8O2 |
Canonical SMILES: | CC1=C(C(=CC=C1)O)O |
InChI: | InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 |
InChI Key: | PGSWEKYNAOWQDF-UHFFFAOYSA-N |
Boiling Point: | 241 °C (lit.) |
Melting Point: | 65-68 °C (lit.) |
Solubility: | Soluble in Water |
Appearance: | Oil |
MDL: | MFCD00016435 |
LogP: | 1.40620 |
GHS Hazard Statement: | H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (15.22%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (13.04%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
23046443 | 20121026 | Cyclobotryoxide, a phytotoxic metabolite produced by the plurivorous pathogen Neofusicoccum australe | Journal of natural products |
21898128 | 20120101 | Isolation, characterization and docking studies of 2,3-dihydroxybiphenyl 1,2-dioxygenase from an activated sludge metagenome | Biotechnology letters |
22826823 | 20120101 | Characterization of catechol 2,3-dioxygenase from Planococcus sp. strain S5 induced by high phenol concentration | Acta biochimica Polonica |
21924604 | 20111101 | Optimization of 2,3-dihydroxybiphenyl 1,2-dioxygenase expression and its application for biosensor | Bioresource technology |
21919526 | 20111027 | ROS initiated oxidation of dopamine under oxidative stress conditions in aqueous and lipidic environments | The journal of physical chemistry. B |
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: | 1.8 |
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