cis-7-Decenal - CAS 21661-97-2

Catalog:	BB017052
Product Name:	cis-7-Decenal
CAS:	21661-97-2
Synonyms:	0

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Computed Properties

IUPAC Name:	(Z)-dec-7-enal
Description:	cis-7-Decenal (CAS# 21661-97-2 ) is a useful research chemical.
Molecular Weight:	154.25
Molecular Formula:	0
Canonical SMILES:	0
InChI:	0
InChI Key:	0
Boiling Point:	221.95 °C (EPI 4.0)
Purity:	97.0 % (sum of isomers)
Density:	0.844 g/cm³
Solubility:	INsoluble in water; soluble in alcohol.
Appearance:	Colorless to pale yellow liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
MDL:	MFCD00015571
LogP:	3.10200
Refractive Index:	1.440 : 1.450 at 20 deg C

Publication Number	Title	Priority Date
EP-3705560-A1	Consumer product compositions with perfume encapsulates	20190306
US-2020283704-A1	Compositions with Perfume Encapsulates	20190306
US-2020283705-A1	Consumer product compositions with perfume encapsulates	20190306
US-2020188245-A1	Method of Providing an Oral Care Benefit using a Poorly-soluble Calcium Compound and Fluoride	20181217
WO-2020128680-A1	Method of providing an oral care benefit using a poorly-soluble calcium compound and fluoride	20181217

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GHS Hazard Statement:	H226 (88.37%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	154.135765193
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.135765193
Rotatable Bond Count:	7
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9