1,2,3-Trimethoxybenzene - CAS 634-36-6

Name: 1,2,3-Trimethoxybenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1,2,3-trimethoxybenzene
Description:	1,2,3-Trimethoxybenzene can be used for RSM-optimised slow pyrolysis of rice husk for bio-oil production.
Molecular Weight:	168.19
Molecular Formula:	C9H12O3
Canonical SMILES:	COC1=C(C(=CC=C1)OC)OC
InChI:	InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
InChI Key:	CRUILBNAQILVHZ-UHFFFAOYSA-N
Boiling Point:	241 °C
Melting Point:	42-45 °C
Purity:	95 %
Density:	1.11 g/cm³
Appearance:	White to off-white crystalline powder
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
LogP:	1.71240
Vapor Pressure:	0.06 [mmHg]

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PMID	Publication Date	Title	Journal
23010271	20121101	Novel cyanocombretastatins as potent tubulin polymerisation inhibitors	Bioorganic & medicinal chemistry letters
22981723	20121031	Inhibitory activity of Dodonaea viscosa var. angustifolia extract against Streptococcus mutans and its biofilm	Journal of ethnopharmacology
23125817	20121001	5-Chloro-2-(3,4,5-trimeth-oxy-phen-yl)-1,3-benzothia-zole	Acta crystallographica. Section E, Structure reports online
22647723	20120701	Synthesis and cytotoxicity of 3,4-disubstituted-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazoles and novel 5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives bearing 3,4,5-trimethoxyphenyl moiety	Bioorganic & medicinal chemistry letters
22905490	20120601	Simple metal-free organic D-pi-A dyes with alkoxy- or fluorine substitutions: application in dye sensitized solar cells	Journal of nanoscience and nanotechnology

Complexity:	115
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.078644241
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	27.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5