Pseudoionone - CAS 141-10-6

Catalog:	BB009154
Product Name:	Pseudoionone
CAS:	141-10-6
Synonyms:	(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one

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Computed Properties

IUPAC Name:	(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
Description:	Pseudoionone (CAS# 141-10-6) is a useful research chemical.
Molecular Weight:	192.30
Molecular Formula:	C13H20O
Canonical SMILES:	CC(=CCCC(=CC=CC(=O)C)C)C
InChI:	InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChI Key:	JXJIQCXXJGRKRJ-KOOBJXAQSA-N
Boiling Point:	297.8 °C at 760 mmHg
Melting Point:	< 25 °C
Density:	0.871 g/cm³
Solubility:	Practically insoluble to insoluble
Appearance:	Solid
MDL:	MFCD00015038
LogP:	3.82430

Publication Number	Title	Priority Date
CN-113429275-A	Method for reducing production cost of pseudo ionone	20210729
CN-113215181-A	Carotenoid cracking dioxygenase gene related to alpha-ionone synthesis and encoding protein and application thereof	20210611
CN-113512556-A	Carotenoid cracking dioxygenase gene related to beta-ionone synthesis and encoding protein and application thereof	20210611
CN-113318141-A	Application of agrimony extract	20210608
CN-113372210-A	Preparation method of beta-ionone	20210608

PMID	Publication Date	Title	Journal
25057464	20140101	Tomato carotenoid cleavage dioxygenases 1A and 1B: Relaxed double bond specificity leads to a plenitude of dialdehydes, mono-apocarotenoids and isoprenoid volatiles	FEBS open bio
23030436	20130101	Nematicidal activity of terpenoids	Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes
19120446	20090201	Characterization of the rice carotenoid cleavage dioxygenase 1 reveals a novel route for geranial biosynthesis	The FEBS journal
16563447	20060801	Functional characterization of CmCCD1, a carotenoid cleavage dioxygenase from melon	Phytochemistry
15826071	20050420	Carotenoid pigmentation affects the volatile composition of tomato and watermelon fruits, as revealed by comparative genetic analyses	Journal of agricultural and food chemistry

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Related Functional Groups

Carbonyl Compounds

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[70912-52-6]
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[1018125-51-3]
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[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501
Signal Word:	Warning

Complexity:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	192.151415257
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.151415257
Rotatable Bond Count:	5
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9