Ethyl 2-hydroxyhexanoate - CAS 52089-55-1

Catalog:	BB027704
Product Name:	Ethyl 2-hydroxyhexanoate
CAS:	52089-55-1
Synonyms:	ethyl 2-hydroxyhexanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-hydroxyhexanoate
Description:	Ethyl 2-hydroxyhexanoate (CAS# 52089-55-1) is a useful research chemical.
Molecular Weight:	160.21
Molecular Formula:	C8H16O3
Canonical SMILES:	CCCCC(C(=O)OCC)O
InChI:	InChI=1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3
InChI Key:	MRYSSTRVUMCKKB-UHFFFAOYSA-N
Boiling Point:	80-83 °C / 11 mmHg (lit.)
Density:	0.967 g/cm³
LogP:	1.10060

Publication Number	Title	Priority Date
CN-113341020-A	Flavor dimension-based white spirit similarity evaluation method	20210621
KR-102229723-B1	Novel strain of Saccharomyces cerevisiae EY1-9 and liquor with increased aromatic compounds using the same	20191105
KR-102229724-B1	Novel strain of Wickerhamomyces anomalus EY2-2 and liquor with increased aromatic compounds using the same	20191105
US-2021015957-A1	Method of atomizing a fluid composition	20190717
US-2021015958-A1	Method of atomizing a fluid composition	20190717

PMID	Publication Date	Title	Journal
21681760	20110815	Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration	Journal of the science of food and agriculture

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Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.109944368
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.109944368
Rotatable Bond Count:	6
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7