1,3-Dimethoxy-2-propanol - CAS 623-69-8

Catalog:	BB031562
Product Name:	1,3-Dimethoxy-2-propanol
CAS:	623-69-8
Synonyms:	1,3-dimethoxy-2-propanol; 1,3-dimethoxypropan-2-ol

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Computed Properties

IUPAC Name:	1,3-dimethoxypropan-2-ol
Description:	1,3-Dimethoxy-2-propanol (CAS# 623-69-8) is a possbile antiknock additive for gasoline and diesel fuel. It is also used to prepare heteroarylcarbamoylbenzene derivatives as glucokinase activators.
Molecular Weight:	120.15
Molecular Formula:	C5H12O3
Canonical SMILES:	COCC(COC)O
InChI:	InChI=1S/C5H12O3/c1-7-3-5(6)4-8-2/h5-6H,3-4H2,1-2H3
InChI Key:	ZESKRVSPQJVIMH-UHFFFAOYSA-N
Boiling Point:	172.6 °C at 760 mmHg
Flash Point:	58.2°C
Density:	0.987 g/cm³
MDL:	MFCD01076303
LogP:	-0.35990
Refractive Index:	1.41

Publication Number	Title	Priority Date
US-2015366887-A1	Substituted nucleosides, nucleotides and analogs thereof	20140624
WO-2015200205-A1	Substituted nucleosides, nucleotides and analogs thereof	20140624
WO-2015200219-A1	Substituted nucleosides, nucleotides and analogs thereof	20140624
US-2015337314-A1	Oligonucleotide Compositions and Methods of Making the Same	20140501
WO-2015161142-A1	Quinoxaline compounds and uses thereof	20140418

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P312, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	40.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.078644241
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7