2-Decalone,mixture of cis and trans - CAS 4832-17-1

Name: 2-Decalone,mixture of cis and trans
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026518
Product Name:	2-Decalone,mixture of cis and trans
CAS:	4832-17-1
Synonyms:	3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one

Technical Data

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Computed Properties

IUPAC Name:	3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Description:	2-Decalone,mixture of cis and trans (CAS# 4832-17-1 ) is a useful research chemical.
Molecular Weight:	152.23
Molecular Formula:	C10H16O
Canonical SMILES:	C1CCC2CC(=O)CCC2C1
InChI:	InChI=1S/C10H16O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-9H,1-7H2
InChI Key:	LGVJRKCQQHOWAU-UHFFFAOYSA-N
Boiling Point:	96 °C / 2.5 mmHg (lit.)
Density:	0.979 g/cm³
MDL:	MFCD00001731
LogP:	2.54580

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

Publication Number	Title	Priority Date
WO-2020187877-A1	Isomerisation reaction	20190321
CN-112805266-A	Isomerization reaction	20190321
EP-3837235-A1	Isomerisation reaction	20190321
WO-2020008994-A1	Radiation-sensitive resin composition and method for forming resist pattern	20180702
US-2020345601-A1	Use of volatile compositions to limit or eliminate the perception of malodor	20171122

PMID	Publication Date	Title	Journal
21587852	20100609	14-Hy-droxy-8,14-secogammacera-7-ene-3,21-dione from the bark of Lansium domesticum Corr	Acta crystallographica. Section E, Structure reports online
18299805	20081101	Aerobic biotransformation of decalin (decahydronaphthalene) by Rhodococcus spp	Biodegradation
21200898	20071221	(4aS,5R,7R,8S,8aR)-8-(1,3-Dioxolan-2-yl)-7,8-dimethyl-5-(1-methyl-ethen-yl)perhydro-naphthalen-2-one	Acta crystallographica. Section E, Structure reports online
12660359	20030401	Alpha 2u-globulin nephropathy and carcinogenicity following exposure to decalin (decahydronaphthalene) in F344/N rats	Toxicological sciences : an official journal of the Society of Toxicology

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.12011513
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.12011513
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5