Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI)

Modify Date: 2025-10-27 11:08:19

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure
Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) structure
Common Name Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI)
CAS Number 21633-77-2 Molecular Weight 216.23100
Density 1.091g/cm3 Boiling Point 262ºC at 760 mmHg
Molecular Formula C10H16O5 Melting Point N/A
MSDS N/A Flash Point 108.2ºC

 Names

Name diethyl 2-propanoylpropanedioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.091g/cm3
Boiling Point 262ºC at 760 mmHg
Molecular Formula C10H16O5
Molecular Weight 216.23100
Flash Point 108.2ºC
Exact Mass 216.10000
PSA 69.67000
LogP 0.70790
Vapour Pressure 0.0112mmHg at 25°C
Index of Refraction 1.437
InChIKey DOYKFDRIECFSJW-UHFFFAOYSA-N
SMILES CCOC(=O)C(C(=O)CC)C(=O)OCC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO1575000
CHEMICAL NAME :
Malonic acid, propionyl-, diethyl ester
CAS REGISTRY NUMBER :
21633-77-2
BEILSTEIN REFERENCE NO. :
1789421
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H16-O5
MOLECULAR WEIGHT :
216.26
WISWESSER LINE NOTATION :
2OVYV2&VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,222,1954

 Safety Information

HS Code 2918300090

 Synthetic Route

~86%

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure

Propanedioic ac...

CAS#:21633-77-2

Literature: Jung, Jae-Chul; Blake Watkins; Avery, Mitchell A. Heterocycles, 2005 , vol. 65, # 1 p. 77 - 94

~69%

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure

Propanedioic ac...

CAS#:21633-77-2

Literature: The Upjohn Company Patent: US5273975 A1, 1993 ;

~%

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure

Propanedioic ac...

CAS#:21633-77-2

Literature: Jung, Jae C.; Watkins, E Blake; Avery, Mitchell A. Synthetic Communications, 2002 , vol. 32, # 24 p. 3767 - 3777

~%

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure

Propanedioic ac...

CAS#:21633-77-2

Literature: Jung, Jae C.; Watkins, E Blake; Avery, Mitchell A. Synthetic Communications, 2002 , vol. 32, # 24 p. 3767 - 3777

~%

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure

Propanedioic ac...

CAS#:21633-77-2

Literature: Trebaul,C.; Teste,J. Bulletin de la Societe Chimique de France, 1969 , p. 2456 - 2462

~%

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure

Propanedioic ac...

CAS#:21633-77-2

Literature: Lang Chemische Berichte, 1887 , vol. 20, p. 1326

~%

Propanedioic acid, (1-oxopropyl)-, diethyl ester (9CI) Structure

Propanedioic ac...

CAS#:21633-77-2

Literature: Gaudemar-Bardone,F.; Gaudemar,M. Bulletin de la Societe Chimique de France, 1970 , p. 2968 - 2972

 Customs

HS Code 2918300090
Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

 Synonyms

MALONIC ACID,PROPIONYL-,DIETHYL ESTER
C-Propionylmalonic ester
propionylmalonic acid diethyl ester
diethyl 2-propionylmalonate
Propionyl-malonsaeure-diaethylester
diethyl propanoylpropanedioate
Diethyl propionylmalonate
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