1-Methoxy-2-butanol - CAS 53778-73-7

Catalog:	BB028346
Product Name:	1-Methoxy-2-butanol
CAS:	53778-73-7
Synonyms:	1-methoxybutan-2-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methoxybutan-2-ol
Description:	1-Methoxy-2-butanol (CAS# 53778-73-7 ) is a useful research chemical.
Molecular Weight:	104.15
Molecular Formula:	C5H12O2
Canonical SMILES:	CCC(COC)O
InChI:	InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3
InChI Key:	CSZZMFWKAQEMPB-UHFFFAOYSA-N
Boiling Point:	133-135 °C (lit.)
Density:	0.906 g/cm³
Appearance:	Colorless to almost colorless clear liquid
LogP:	0.40370

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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:	0.4