2-Butenedioic acid,2-methyl-, 1,4-dimethyl ester, (2Z)-

Modify Date: 2025-08-26 05:45:56

2-Butenedioic acid,2-methyl-, 1,4-dimethyl ester, (2Z)- Structure
2-Butenedioic acid,2-methyl-, 1,4-dimethyl ester, (2Z)- structure
Common Name 2-Butenedioic acid,2-methyl-, 1,4-dimethyl ester, (2Z)-
CAS Number 617-54-9 Molecular Weight 158.15200
Density 1.11 g/cm3 Boiling Point 211ºC
Molecular Formula C7H10O4 Melting Point N/A
MSDS N/A Flash Point 91.5ºC

 Names

Name Dimethyl citraconate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.11 g/cm3
Boiling Point 211ºC
Molecular Formula C7H10O4
Molecular Weight 158.15200
Flash Point 91.5ºC
Exact Mass 158.05800
PSA 52.60000
LogP 0.27870
Index of Refraction 1.438
InChIKey WQEXBUQDXKPVHR-SNAWJCMRSA-N
SMILES COC(=O)C=C(C)C(=O)OC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GE6700000
CHEMICAL NAME :
Citraconic acid, dimethyl ester
CAS REGISTRY NUMBER :
617-54-9
BEILSTEIN REFERENCE NO. :
1723489
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H10-O4
MOLECULAR WEIGHT :
158.17
WISWESSER LINE NOTATION :
1OVY1&U1VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,749,1976

 Safety Information

Risk Phrases 36/37/38
HS Code 2917190090

 Synthetic Route

 Customs

HS Code 2917190090
Summary 2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

citraconic acid dimethyl ester
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