2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione

Modify Date: 2025-10-28 22:32:14

2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione structure	Common Name	2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione
	CAS Number	39992-64-8	Molecular Weight	260.28500
	Density	1.18g/cm3	Boiling Point	468ºC at 760 mmHg
	Molecular Formula	C₁₅H₁₆O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	210.2ºC

Name	2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,3-dione
Synonym	More Synonyms

Density	1.18g/cm3
Boiling Point	468ºC at 760 mmHg
Molecular Formula	C₁₅H₁₆O₄
Molecular Weight	260.28500
Flash Point	210.2ºC
Exact Mass	260.10500
PSA	60.44000
LogP	2.20630
Index of Refraction	1.537
InChIKey	CDGMHSBSEMTFNG-UHFFFAOYSA-N
SMILES	COc1ccc(C(=O)CC2C(=O)CCCC2=O)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GV0745000

CHEMICAL NAME :: 1,3-Cyclohexanedione, 2-p-methoxyphenacyl-

CAS REGISTRY NUMBER :: 39992-64-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H16-O4

MOLECULAR WEIGHT :: 260.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 21 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 14,794,1980

1,3-Cyclohexanedione

CAS#:504-02-9

PTP inhibitor 1

CAS#:2632-13-5

~53%

2-[2-(4-Methoxy...

CAS#:39992-64-8

Literature: Shvedov, V. I.; Safonova, O. A.; Bulanova, T. I.; Il'ina, A. S.; Shvarts, G. Ya.; et al. Pharmaceutical Chemistry Journal, 1980 , vol. 14, # 11 p. 794 - 798 Khimiko-Farmatsevticheskii Zhurnal, 1980 , vol. 14, # 11 p. 67 - 71

Precursor 2
CAS#:504-02-9 1,3-Cyclohexanedione CAS#:2632-13-5 PTP inhibitor 1
DownStream 1
CAS#:76410-26-9 1,5,6,7-Tetrahy...

2-p-Methoxyphenacylcyclohexane-1,3-dione

1,3-Cyclohexanedione,2-p-methoxyphenacyl

1,3-Cyclohexanedione,2-(2-(4-methoxyphenyl)-2-oxoethyl)

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Product Name: 2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione
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Purity: 98.0%
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2-[2-(4-Methoxyphenyl)-2-oxoethyl]-1,3-cyclohexanedione

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.