Nonanal - CAS 124-19-6

Technical Data

IUPAC Name:	nonanal
Description:	A component of essential oils, Nonanal possesses a strong fruity odor. Essential oils have varying effects from antibacterial activity to hypolipidemic activity.
Molecular Weight:	142.24
Molecular Formula:	C9H18O
Canonical SMILES:	CCCCCCCCC=O
InChI:	InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
InChI Key:	GYHFUZHODSMOHU-UHFFFAOYSA-N
Boiling Point:	93 °C (23 mmHg)
Melting Point:	-18°C
Flash Point:	63°C
Density:	0.827 g/cm³
Solubility:	water, 131.6 mg/L @ 25 °C (est)
Appearance:	Clear brown liquid characterized by a rose-orange odor. insoluble in water. found in at least 20 essential oils, including rose and citrus oils and several species of pine oil.
Storage:	Inert atmosphere, Store in freezer, under -20 °C
Decomposition:	When heated to decomposition it emits acrid smoke, And irritating fumes
MDL:	MFCD00007030
LogP:	2.93590
Refractive Index:	1.423-1.427
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents.
Vapor Pressure:	0.37 [mmHg]

GHS Hazard Statement:	H315 (21.57%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113504378-A	Olfactory receptor, recombinant cell, kit and use thereof	20210908
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CN-113504333-A	Method for detecting organic matter migration amount in paper packaging material	20210820
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PMID	Publication Date	Title	Journal
30002397	20180712	DNA Methylome Analysis of Saturated Aliphatic Aldehydes in Pulmonary Toxicity	Scientific reports
23416264	20130401	In vitro effects of aldehydes present in tobacco smoke on gene expression in human lung alveolar epithelial cells	Toxicology in vitro : an international journal published in association with BIBRA
22925715	20121201	Electrophysiological responses of the olfactory receptors of the tick Amblyomma cajennense (Acari: Ixodidae) to host-related and tick pheromone-related synthetic compounds	Acta tropica
22970999	20121101	Decaying mouse volatiles perceived by Calliphora vicina Rob.-Desv	Journal of forensic sciences
22981431	20121101	Protective role of clusterin in preserving endothelial function in AL amyloidosis	Atherosclerosis

Complexity:	69.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.135765193
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.135765193
Rotatable Bond Count:	7
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3