Basic information
- CAS
617-53-8- Standard SMILES
COC(=O)/C=C(\C)C(=O)OC- InChIKey
WQEXBUQDXKPVHR-SNAWJCMRSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Overview
Dimethyl citraconate is a fatty acid ester.
Names & identifiers
- Preferred name
- Dimethyl mesaconate
- IUPAC
- dimethyl (E)-2-methylbut-2-enedioate
- English name
- 2-Methylfumaric acid dimethyl ester
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
Dimethyl mesaconate617-53-8dimethyl (E)-2-methylbut-2-enedioateCitraconic acid dimethyl ester2-Methylfumaric acid dimethyl ester1,4-dimethyl (2E)-2-methylbut-2-enedioate2-Methyl-but-2-enedioic acid dimethyl ester(2E)-Dimethyl 2-methylfumarateMFCD000593062-Methyl-but-2-enedioic acid dimethyl ester, E2-Butenedioic acid, 2-methyl-, dimethyl ester, (Z)-Dimethyl methylmaleate
Show more names
Mesaconic acid dimethyl esterDimethyl 2-methylfumarateDimethyl trans-1-propene-1,2-dicarboxylate(E)-2-Methyl-2-butenedioic acid dimethyl ester2-Butenedioic acid, 2-methyl-, 1,4-dimethyl ester, (2E)-
Methylfumaric acid, dimethyl esterMesaconic acid, dimethyl ester1,4-dimethyl (2Z)-2-methylbut-2-enedioateCitraconate de dimethyleDIMETHYL-CITRACONATECHEBI:4607SCHEMBL7771274WQEXBUQDXKPVHR-SNAWJCMRSA-
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 203.5 °C · 203.5°C (estimate)
- Density
- 1.0914 · 1.0914
- refractive index
- 1.4512 · 1.4512 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colorless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl Mesaconate is a substrate of old yellow enzyme.
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
SHANDONG ZHI SHANG CHEMICAL CO.LTD0531-68652808 18953170293 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Additional notes
DefinitionChEBI: Dimethyl citraconate is a fatty acid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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