2-Methyl-1,3-dioxolane - CAS 497-26-7

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

Catalog:	BB026813
Product Name:	2-Methyl-1,3-dioxolane
CAS:	497-26-7
Synonyms:	2-methyl-1,3-dioxolane

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1,3-dioxolane
Description:	2-Methyl-1,3-dioxolane (CAS# 497-26-7) is used in method for treating biodegradation of organic chlorine compounds using 1,4-Dioxane-degrading bacterium N23 strain.
Molecular Weight:	88.11
Molecular Formula:	C4H8O2
Canonical SMILES:	CC1OCCO1
InChI:	InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChI Key:	HTWIZMNMTWYQRN-UHFFFAOYSA-N
Boiling Point:	82-83 °C
Purity:	98 %
Density:	0.99 g/cm³
Appearance:	Colorless liquid
LogP:	0.37920

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Related Functional Groups

Oxygen Compounds

[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[5333-45-9]C10H14O4
1,2,3,5-Tetramethoxybenzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

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Publication Number	Title	Priority Date
US-10689371-B2	Modulators of methyl modifying enzymes, compositions and uses thereof	20180418
US-2019322651-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20180418
WO-2019204490-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20180418
AU-2019255310-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20180418
CA-3098428-A1	Modulators of methyl modifying enzymes, compositions and uses thereof	20180418

PMID	Publication Date	Title	Journal
22881451	20120920	Kinetics and mechanisms of the thermal decomposition of 2-methyl-1,3-dioxolane, 2,2-dimethyl-1,3-dioxolane, and cyclopentanone ethylene ketal in the gas phase. Combined experimental and DFT study	The journal of physical chemistry. A
20947371	20101201	Absolute assignment of constitutional isomers via structurally diagnostic fragment ions: the challenging case of α- and β-acyl naphthalenes	Journal of the American Society for Mass Spectrometry
19947609	20091231	Theoretical investigations on oxidative stability of solvents and oxidative decomposition mechanism of ethylene carbonate for lithium ion battery use	The journal of physical chemistry. B
19004641	20090201	Recognition and resolution of isomeric alkyl anilines by mass spectrometry	Journal of the American Society for Mass Spectrometry
18563867	20081201	Recognizing alpha-, beta- or gamma-substitution in pyridines by mass spectrometry	Journal of mass spectrometry : JMS

Complexity:	38.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.052429494
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	88.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2