Methyl 2,2-dimethyl-3-hydroxypropionate - CAS 14002-80-3

Name: Methyl 2,2-dimethyl-3-hydroxypropionate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009023
Product Name:	Methyl 2,2-dimethyl-3-hydroxypropionate
CAS:	14002-80-3
Synonyms:	methyl 3-hydroxy-2,2-dimethylpropanoate

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Computed Properties

IUPAC Name:	methyl 3-hydroxy-2,2-dimethylpropanoate
Description:	Methyl 2,2-dimethyl-3-hydroxypropionate (CAS# 14002-80-3) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C6H12O3
Canonical SMILES:	CC(C)(CO)C(=O)OC
InChI:	InChI=1S/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3
InChI Key:	KJRFTNVYOAGTHK-UHFFFAOYSA-N
Boiling Point:	178.4 °C at 760 mmHg
Density:	1.036 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00009707
LogP:	0.17790

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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GHS Hazard Statement:	H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-11098237-B1	Compositions for delayed acid generation for high temperature applications and methods of making and using same	20200528
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PMID	Publication Date	Title	Journal
19309138	20090416	Joint experimental and theoretical studies of the mechanism for the gas phase elimination kinetics of methyl 2,2-dimethyl-3-hydroxypropionate	The journal of physical chemistry. A
15225752	20040501	2,2-Functionalized analogues of 1alpha,25-dihydroxyvitamin D3, the potent inducers of cell differentiation	The Journal of steroid biochemistry and molecular biology

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.078644241
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3