Ethyl 2-hydroxyvalerate - CAS 6938-26-7

Catalog:	BB033797
Product Name:	Ethyl 2-hydroxyvalerate
CAS:	6938-26-7
Synonyms:	ethyl 2-hydroxypentanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-hydroxypentanoate
Description:	Ethyl 2-hydroxyvalerate (CAS# 6938-26-7) is an intermediate used to prepare 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.
Molecular Weight:	146.18
Molecular Formula:	C7H14O3
Canonical SMILES:	CCCC(C(=O)OCC)O
InChI:	InChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3
InChI Key:	MQGTZMCASHTGBJ-UHFFFAOYSA-N
Boiling Point:	190 °C
Density:	0.983 g/mL at 20°C(lit.)
Appearance:	Colorless liquid
MDL:	MFCD00042730
LogP:	0.71050

Publication Number	Title	Priority Date
JP-2021134205-A	Method for producing fluorine-containing compound	20200226
CN-111162313-A	Polymer electrolyte and lithium ion battery	20191223
CN-111146496-B	Polymer electrolyte and lithium ion battery containing same	20191223
FR-3083130-A1	CATALYST BASED ON AN ALKYL LACTATE AND ITS USE IN A HYDROPROCESSING AND / OR HYDROCRACKING PROCESS	20180627
WO-2020002139-A1	Catalyst additivated with alkyl lactate, preparation thereof and use thereof in a hydrotreating and/or hydrocracking process	20180627

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.094294304
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1