cis-11-Hexadecenal - CAS 53939-28-9

Catalog:	BB028403
Product Name:	cis-11-Hexadecenal
CAS:	53939-28-9
Synonyms:	(Z)-hexadec-11-enal

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Computed Properties

IUPAC Name:	(Z)-hexadec-11-enal
Description:	Female of the Heliothine species use (Z)-11-Hexadecenal as the major component of their sex pheromones.
Molecular Weight:	238.41
Molecular Formula:	C16H30O
Canonical SMILES:	CCCCC=CCCCCCCCCCC=O
InChI:	InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
InChI Key:	AMTITFMUKRZZEE-WAYWQWQTSA-N
Boiling Point:	132 ℃ / 1 mmHg
Density:	0.963 g/cm³
Appearance:	Colourless liquid
MDL:	MFCD00010124
LogP:	5.44260

Publication Number	Title	Priority Date
WO-2021122645-A1	Pesticidally active azole-amide compounds	20191220
WO-2021125325-A1	Method for simultaneously preventing pink bollworm and american bollworm	20191220
WO-2021110891-A1	Pesticidally active fused bicyclic heteroaromatic amino compounds	20191204
WO-2021083936-A1	Pesticidally active fused bicyclic heteroaromatic compounds	20191101
WO-2021085277-A1	Agrochemical composition for soil treatment and pest control method using same	20191031

PMID	Publication Date	Title	Journal
22982110	20121101	Synthetic rates of key stored fatty acids in the biosynthesis of sex pheromone in the moth Heliothis virescens	Insect biochemistry and molecular biology
22732233	20120901	An overlooked component: (Z)-9-tetradecenal as a sex pheromone in Helicoverpa armigera	Journal of insect physiology
22112834	20120115	Chopper-stabilized gas chromatography-electroantennography: Part I. background, signal processing and example	Biosensors & bioelectronics
22615947	20120101	Semi-selective fatty acyl reductases from four heliothine moths influence the specific pheromone composition	PloS one
23060749	20120101	Plant odorants interfere with detection of sex pheromone signals by male Heliothis virescens	Frontiers in cellular neuroscience

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GHS Hazard Statement:	H315 (95.65%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	238.229665576
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.229665576
Rotatable Bond Count:	13
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.1