4-Methyltetrahydropyran - CAS 4717-96-8

Catalog:	BB026228
Product Name:	4-Methyltetrahydropyran
CAS:	4717-96-8
Synonyms:	4-methyloxane; 4-methyloxane

Technical Data

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Computed Properties

IUPAC Name:	4-methyloxane
Description:	4-Methyltetrahydropyran (CAS# 4717-96-8) is a useful research chemical.
Molecular Weight:	100.16
Molecular Formula:	C6H12O
Canonical SMILES:	CC1CCOCC1
InChI:	InChI=1S/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChI Key:	OVRKATYHWPCGPZ-UHFFFAOYSA-N
Boiling Point:	107.3 °C at 760 mmHg
Density:	0.852 g/cm³
LogP:	1.43290

Publication Number	Title	Priority Date
CN-112375122-A	Preparation method of dienogest and method for recovering dienogest from dienogest mother liquor	20201112
CN-112209987-A	Preparation method of dienogest	20200928
CN-111875606-A	Purine compound obtained based on virtual docking and preparation method and application thereof	20200720
EP-3901125-A1	Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof	20200421
US-2021323902-A1	Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof	20200421

PMID	Publication Date	Title	Journal
12919048	20030822	The role of hyperconjugation in the conformational analysis of methylcyclohexane and methylheterocyclohexanes	The Journal of organic chemistry

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	46.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.088815002
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	100.088815002
Rotatable Bond Count:	0
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4