3-Methoxycatechol - CAS 934-00-9

Catalog:	BB040906
Product Name:	3-Methoxycatechol
CAS:	934-00-9
Synonyms:	3-methoxybenzene-1,2-diol

Technical Data

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Computed Properties

IUPAC Name:	3-methoxybenzene-1,2-diol
Description:	3-Methoxycatechol (CAS# 934-00-9) is used to prepare polyphenolic deoxybenzoins as potential antioxidants and tyrosinase inhibitors.
Molecular Weight:	140.14
Molecular Formula:	C7H8O3
Canonical SMILES:	COC1=CC=CC(=C1O)O
InChI:	InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
InChI Key:	LPYUENQFPVNPHY-UHFFFAOYSA-N
Boiling Point:	146-147 °C (15 torr)
Density:	1.27 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00002191
LogP:	1.10640

Publication Number	Title	Priority Date
CN-113462626-A	Expression optimization of multi-subunit enzyme for synthesizing high value-added compound by using lignin monomer	20210624
CN-113321625-A	Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound	20210606
CN-112897951-A	Concrete with volume weight of more than 5000kg per cubic meter and preparation method thereof	20210204
CN-112844379-A	Method for preparing monophenol chemicals by catalyzing lignin depolymerization through ruthenium loaded on metal organic framework material derivative	20201231
CN-111440458-A	Carbon nanotube modified epoxy resin asphalt material and preparation method thereof	20200608

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
21199251	20110101	Selective lignin and polysaccharide removal in natural fungal decay of wood as evidenced by in situ structural analyses	Environmental microbiology
20424954	20100601	Oxidative stress and vascular function: implications for pharmacologic treatments	Current hypertension reports
19375147	20090601	A previously uncultured, paper mill Propionibacterium is able to degrade O-aryl alkyl ethers and various aromatic hydrocarbons	Chemosphere
21556245	20090106	Urine biomarkers of risk in the molecular etiology of breast cancer	Breast cancer : basic and clinical research

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Related Functional Groups

Oxygen Compounds

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[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene

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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

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.047344113
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8