Ethyl undecylenate - CAS 692-86-4

Catalog:	BB033760
Product Name:	Ethyl undecylenate
CAS:	692-86-4
Synonyms:	ethyl undec-10-enoate

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Computed Properties

IUPAC Name:	ethyl undec-10-enoate
Description:	Ethyl undecylenate (CAS# 692-86-4) is used to make luminescent silicon quantum dots for imaging of cancer cells.
Molecular Weight:	212.33
Molecular Formula:	C13H24O2
Canonical SMILES:	CCOC(=O)CCCCCCCCC=C
InChI:	InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
InChI Key:	FXNFFCMITPHEIT-UHFFFAOYSA-N
Boiling Point:	258-259 °C / 761 mmHg (lit.)
Melting Point:	-38°C
Flash Point:	>230°C
Purity:	99%+
Density:	0.879 g/mL at 25°C(lit.)
Solubility:	Other solvents(Soluble) : Methanol
Appearance:	Liquid
MDL:	MFCD00009220
LogP:	3.85630
Refractive Index:	n20/D 1.439(lit.)

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-111892709-A	Ethyl propionate grafted polysiloxane and preparation method and application thereof	20200818
WO-2021185870-A1	Detergent composition	20200319
WO-2021185956-A1	Detergent composition	20200319
WO-2021160974-A1	Unsaturated fluxing agents for bituminous binders	20200213

PMID	Publication Date	Title	Journal
15969396	20040511	Structure and reactivity of mixed omega-carboxyalkyl/alkyl monolayers on silicon: ATR-FTIR spectroscopy and contact angle titration	Langmuir : the ACS journal of surfaces and colloids

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Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.177630004
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.177630004
Rotatable Bond Count:	11
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6