3-Methoxy-1-butanol - CAS 2517-43-3

Catalog:	BB018782
Product Name:	3-Methoxy-1-butanol
CAS:	2517-43-3
Synonyms:	3-methoxybutan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	3-methoxybutan-1-ol
Description:	3-Methoxy-1-butanol (CAS# 2517-43-3) is used as a reactant in the preparation of 3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones as potent inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase.
Molecular Weight:	104.15
Molecular Formula:	C5H12O2
Canonical SMILES:	CC(CCO)OC
InChI:	InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
InChI Key:	JSGVZVOGOQILFM-UHFFFAOYSA-N
Boiling Point:	162.6 ℃ at 760 mmHg
Density:	0.928 g/cm³
Appearance:	Clear colourless liquid
MDL:	MFCD00002931
LogP:	0.40370

Publication Number	Title	Priority Date
CN-113462225-A	Modified pearlescent mica pigment and preparation method and application thereof	20210707
CN-113185705-A	Organic-inorganic hybrid material for single molecule detection and preparation method thereof	20210521
CN-113150223-A	POSS (polyhedral oligomeric silsesquioxane) modified acrylate resin and high-impedance black matrix photoresist composition thereof	20210315
JP-2021080486-A	Ink set	20210308
CN-112961054-A	Method for iron-catalyzed ethoxycarbonyl difluoromethylation of aromatic compound	20210219

PMID	Publication Date	Title	Journal
17388430	20070329	Glass transition dynamics and boiling temperatures of molecular liquids and their isomers	The journal of physical chemistry. B

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Oxygen Compounds

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	37.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.083729621
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	104.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2