4-Hydroxy-2-methyltetrahydropyran - CAS 89791-47-9

Catalog:	BB039596
Product Name:	4-Hydroxy-2-methyltetrahydropyran
CAS:	89791-47-9
Synonyms:	2-methyl-4-oxanol; 2-methyloxan-4-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methyloxan-4-ol
Description:	4-Hydroxy-2-methyltetrahydropyran (CAS# 89791-47-9) is a useful research chemical.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	CC1CC(CCO1)O
InChI:	InChI=1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3
InChI Key:	ZHPKAPJNEIKPGV-UHFFFAOYSA-N
Boiling Point:	210.181 °C at 760 mmHg
Density:	1.015 g/cm³
LogP:	0.54620

Publication Number	Title	Priority Date
WO-2021122674-A1	2,4-diethylocta-2,6-dienal and its use as aroma chemical	20191218
WO-2020119819-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
TW-202039474-A	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
CN-113227074-A	Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods	20181214
EP-3877381-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214

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Complexity:	72.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4