3,4,5-Trimethoxybenzoic acid - CAS 118-41-2

Name: 3,4,5-Trimethoxybenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3,4,5-trimethoxybenzoic acid
Description:	Eudesmic acid is a phenolic compound. Eudesmic acid is potent antioxidant and inhibitor of cytokine production.
Molecular Weight:	212.20
Molecular Formula:	C10H12O5
Canonical SMILES:	COC1=CC(=CC(=C1OC)OC)C(=O)O
InChI:	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
InChI Key:	SJSOFNCYXJUNBT-UHFFFAOYSA-N
Boiling Point:	225-227 °C (10 mmHg)
Melting Point:	171 - 172 °C
Purity:	> 98 %
Density:	1.219 g/cm³
Solubility:	Sealed in dry, Room Temperature
Appearance:	Powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00002501
LogP:	1.41060
Quality Standard:	Enterprise Standard

GHS Hazard Statement:	H315 (98.33%): 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

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PMID	Publication Date	Title	Journal
22246731	20120301	Atropa belladonna hairy roots: orchestration of concurrent oxidation and reduction reactions for biotransformation of carbonyl compounds	Applied biochemistry and biotechnology
22219905	20111101	N-(4-Hy-droxy-phen-yl)-3,4,5-trimeth-oxy-benzamide	Acta crystallographica. Section E, Structure reports online
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Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.06847348
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.06847348
Rotatable Bond Count:	4
Topological Polar Surface Area:	65 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4