Ethyl 3,4-dihydroxybenzoate - CAS 3943-89-3

Catalog:	BB023983
Product Name:	Ethyl 3,4-dihydroxybenzoate
CAS:	3943-89-3
Synonyms:	Ethyl protocatechuate; 3,4-Dihydroxybenzoic Acid Ethyl Ester
Application:	An antioxidant compound found in Sicilian virgin olive oils and red wines.

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 3,4-dihydroxybenzoate
Description:	Ethyl 3,4-dihydroxybenzoate is a natural compound and can be used as an antioxidant.
Molecular Weight:	182.17
Molecular Formula:	C9H10O4
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1)O)O
InChI:	InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
InChI Key:	KBPUBCVJHFXPOC-UHFFFAOYSA-N
Boiling Point:	358.1 °C at 760 mmHg
Purity:	98 %
Density:	1.294 g/cm³
Appearance:	Powder
LogP:	1.27450

Publication Number	Title	Priority Date
CN-113412857-A	Protocatechuic acid ester-containing fruit and vegetable sterilization and fresh-keeping agent	20210628
CN-113292482-A	Method for extracting high-content deoxynojirimycin from cortex mori	20210527
CN-113122171-A	Preparation method of bionic binding material	20210428
CN-113185425-A	Preparation method of amine bionic curing accelerator	20210428
CN-113082125-A	Traditional Chinese medicine for clearing lung and abating fever and application thereof	20210406

PMID	Publication Date	Title	Journal
24338020	20140131	The role of prolyl hydroxylase domain protein (PHD) during rosiglitazone-induced adipocyte differentiation	The Journal of biological chemistry
22584042	20120801	Silymarin improves the behavioural, biochemical and histoarchitecture alterations in focal ischemic rats: a comparative evaluation with piracetam and protocatachuic acid	Pharmacology, biochemistry, and behavior
22823210	20120723	HIF-1 expression is associated with CCL2 chemokine expression in airway inflammatory cells: implications in allergic airway inflammation	Respiratory research
22312019	20120701	Hypoxia response in asthma: differential modulation on inflammation and epithelial injury	American journal of respiratory cell and molecular biology
21517900	20110701	Hypoxia inducible factor promotes murine allergic airway inflammation and is increased in asthma and rhinitis	Allergy

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H315 (95.12%): 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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.05790880
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.05790880
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8