Ethyl undecanoate - CAS 627-90-7

Catalog:	BB031801
Product Name:	Ethyl undecanoate
CAS:	627-90-7
Synonyms:	ethyl undecanoate

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Computed Properties

IUPAC Name:	ethyl undecanoate
Description:	Ethyl undecanoate (CAS# 627-90-7) is a useful research chemical.
Molecular Weight:	214.34
Molecular Formula:	C13H26O2
Canonical SMILES:	CCCCCCCCCCC(=O)OCC
InChI:	InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3
InChI Key:	IAFQYUQIAOWKSB-UHFFFAOYSA-N
Boiling Point:	105-105 °C (4 torr)
Melting Point:	-15 °C
Purity:	> 98.0 % (GC)
Density:	0.859 g/cm³
Solubility:	1.132 mg/L at 25 °C (est)
Appearance:	Clear colourless liquid
Storage:	2-8 °C
MDL:	MFCD00008958
LogP:	4.08030

Publication Number	Title	Priority Date
CN-113416659-A	Application of candida glabrata capable of producing fruity flavor and commercial yeast in beer brewing through sequential inoculation fermentation	20210701
CN-113336934-A	Self-emulsifying polyether amine curing agent and preparation method thereof	20210611
CN-113215006-A	Pichia pastoris and application thereof	20201228
CN-214251585-U	Cereal sampler and storage corn yellow stain early warning device	20201221
US-11033516-B1	Combination therapies with disulfiram	20200918

PMID	Publication Date	Title	Journal
17722279	20060101	Silicon nanoparticles: applications in cell biology and medicine	International journal of nanomedicine

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.193280068
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.193280068
Rotatable Bond Count:	11
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1