2-Ethylbenzaldehyde - CAS 22927-13-5

Catalog:	BB017821
Product Name:	2-Ethylbenzaldehyde
CAS:	22927-13-5
Synonyms:	2-ethylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-ethylbenzaldehyde
Description:	A volatile derivative of benzaldehyde present in animal-derived food products.
Molecular Weight:	134.18
Molecular Formula:	C9H10O
Canonical SMILES:	CCC1=CC=CC=C1C=O
InChI:	InChI=1S/C9H10O/c1-2-8-5-3-4-6-9(8)7-10/h3-7H,2H2,1H3
InChI Key:	NTWBHJYRDKBGBR-UHFFFAOYSA-N
Boiling Point:	205.5 °C at 760 mmHg
Purity:	95 %
Density:	1.02 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD02261766
LogP:	2.06150

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
JP-2021155726-A	Pigment dispersion	20200327
CN-111217737-A	Synthesis method of 1-trifluoroethoxy indan-succinimide compound	20200313
WO-2021183896-A1	Methods of modulating gastrointestinal microbial metabolic pathways and metabolites	20200313
WO-2021122595-A1	Polyimines and uses thereof	20191219

PMID	Publication Date	Title	Journal
22629139	20120101	Triacylglycerols composition and volatile compounds of virgin olive oil from Chemlali cultivar: comparison among different planting densities	TheScientificWorldJournal
21876772	20110101	Olfactory cues from plants infected by powdery mildew guide foraging by a mycophagous ladybird beetle	PloS one

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Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.073164938
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5