2,5-Dimethoxytoluene - CAS 24599-58-4

Catalog:	BB018545
Product Name:	2,5-Dimethoxytoluene
CAS:	24599-58-4
Synonyms:	1,4-dimethoxy-2-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1,4-dimethoxy-2-methylbenzene
Description:	2,5-Dimethoxytoluene (CAS# 24599-58-4) is a useful research chemical.
Molecular Weight:	152.19
Molecular Formula:	C9H12O2
Canonical SMILES:	CC1=C(C=CC(=C1)OC)OC
InChI:	InChI=1S/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3
InChI Key:	IQISOVKPFBLQIQ-UHFFFAOYSA-N
Boiling Point:	218 °C
Density:	1.04 g/cm³
Appearance:	Clear light yellow liquid
MDL:	MFCD00041901
LogP:	2.01220

Publication Number	Title	Priority Date
CN-113121387-A	Organic compound, mixture containing the same, composition and organic electronic device	20191230
WO-2021135841-A1	Organic electroluminescence device and aromatic compound containing fused-ring	20191230
CN-112321584-A	Organic compound, high polymer, mixture, composition and electronic device	20191227
CN-112341482-A	Organic compound, high polymer, mixture, composition and electronic device	20191227
CN-113045606-A	Transition metal complexes, polymers, mixtures, compositions and organic electronic devices	20191227

PMID	Publication Date	Title	Journal
17326648	20070329	Electron transfer prompted ejection of a tightly bound K(+) from the ethereal cavity of a hexaarylbenzene-based receptor	Organic letters
14677987	20031224	Intervalence (charge-resonance) transitions in organic mixed-valence systems. Through-space versus through-bond electron transfer between bridged aromatic (redox) centers	Journal of the American Chemical Society
14671375	20031201	Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane	Acta crystallographica. Section C, Crystal structure communications
11817960	20020206	X-ray structure analysis and the intervalent electron transfer in organic mixed-valence crystals with bridged aromatic cation radicals	Journal of the American Chemical Society

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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:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.083729621
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7