2,3-Dimethoxytoluene - CAS 4463-33-6

Catalog:	BB025676
Product Name:	2,3-Dimethoxytoluene
CAS:	4463-33-6
Synonyms:	1,2-dimethoxy-3-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1,2-dimethoxy-3-methylbenzene
Description:	2,3-Dimethoxytoluene (CAS# 4463-33-6) is a volatile flavor compound found is many substances such as boiled buckwheat flour, wild rice grain and tar of hickory wood smoke.
Molecular Weight:	152.19
Molecular Formula:	C9H12O2
Canonical SMILES:	CC1=C(C(=CC=C1)OC)OC
InChI:	InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3
InChI Key:	WMXFNCKPYCAIQW-UHFFFAOYSA-N
Boiling Point:	88 °C (10 torr)
Density:	1.025 g/cm³
Appearance:	Liquid
MDL:	MFCD00008379
LogP:	2.01220

Publication Number	Title	Priority Date
WO-2021116999-A1	Compounds and compositions for the treatment of tumors	20191211
WO-2020257940-A1	Furosemide analogues and compositions and uses thereof for treatment of alzheimer's disease	20190626
WO-2020245621-A1	Supported oxide nh3-scr catalysts with dual site surface species and synthesis processes	20190604
WO-2020226150-A1	Compound and production method thereof, resin, composition, resist film, pattern forming method, underlayer film for lithography, optical component, and method for purifying compound or resin	20190508
WO-2020138389-A1	Nanoparticle, contrast agent for magnetic resonance imaging comprising same and zwitterionic ligand compound	20181227

PMID	Publication Date	Title	Journal
18432237	20080424	Plant biology: scent of a rose	Nature
15711966	20050201	Intensity and the ratios of compounds in the scent of snapdragon flowers affect scent discrimination by honeybees (Apis mellifera)	Journal of comparative physiology. A, Neuroethology, sensory, neural, and behavioral physiology
15053530	20040407	Synthesis of 4-hydroxy-7,8-dimethoxyisochroman-3-one and its plant growth-regulating properties on tobacco (Nicotiana tabacum cv. Petit Havana)	Journal of agricultural and food chemistry

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Related Functional Groups

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[2960-93-2]
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[35989-28-7]
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[37503-42-7]
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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:	2.2