Methyl 2-hydroxyisobutyrate - CAS 2110-78-3

Catalog:	BB016610
Product Name:	Methyl 2-hydroxyisobutyrate
CAS:	2110-78-3
Synonyms:	methyl 2-hydroxy-2-methylpropanoate

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Computed Properties

IUPAC Name:	methyl 2-hydroxy-2-methylpropanoate
Description:	Methyl 2-hydroxyisobutyrate (CAS# 2110-78-3) is commonly used as a solvent in coating compositions and as a cleaning component.
Molecular Weight:	118.13
Molecular Formula:	C5H10O3
Canonical SMILES:	CC(C)(C(=O)OC)O
InChI:	InChI=1S/C5H10O3/c1-5(2,7)4(6)8-3/h7H,1-3H3
InChI Key:	XYVQFUJDGOBPQI-UHFFFAOYSA-N
Boiling Point:	137 °C
Density:	1.03 g/cm³
Appearance:	Liquid
MDL:	MFCD00004457
LogP:	-0.06970

Publication Number	Title	Priority Date
US-2015368504-A1	Aromatic resins for underlayers	20140624
US-2015355545-A1	Thinner composition for improving coating and removing performance of resist	20140610
WO-2015183908-A1	Low molecular weight imide containing quaternary ammonium salts	20140530
WO-2015183916-A1	Low molecular weight amide/ester containing quaternary ammonium salts	20140530
WO-2015183929-A1	Concentrated multi-functional fuel additive packages	20140530

PMID	Publication Date	Title	Journal
17001413	20061014	Intra- vs. intermolecular hydrogen bonding: dimers of alpha-hydroxyesters with methanol	Physical chemistry chemical physics : PCCP

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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, P305+P351+P338, P310, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	95.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.062994177
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1