Grundinformationen
- Standard-SMILES
COC(=O)/C=C\C(=O)OC- InChIKey
LDCRTTXIJACKKU-ARJAWSKDSA-N- Summenformel
- C6H8O4
- Durchschnittliche Molmasse
- 144,12 g/mol
- Monoisotopische Masse
- 144,04225874
Überblick
Dimethyl maleate is a maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with methanol. It is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis. It is a methyl ester, a maleate ester and a diester. It is functionally related to a methanol.
Namen und Bezeichner
- Bevorzugter Name
- Dimethyl maleate
- IUPAC
- dimethyl (Z)-but-2-enedioate
- Englischer Name
- Dimethyl maleate
- Summenformel
- C6H8O4
- Molmasse
- 144.13
Namen und Synonyme
Dimethyl maleate624-48-6METHYL MALEATESipomer DMMMaleic acid, dimethyl esterDimethyl cis-butenedioate2-Butenedioic acid (Z)-, dimethyl esterDimethyl cis-ethylenedicarboxylateDTXSID40407652-Butenedioic acid, dimethyl ester, (Z)-Dimethylester kyseliny maleinove2-Butenedioic acid (2Z)-, 1,4-dimethyl ester
Weitere Namen anzeigen
(E/Z)-Dimethyl fumarateDimethyl 2-butenedioatedimethyl but-2-enedioate2-Butenedioic acid, 1,4-dimethyl esterdimethyl (2E)-but-2-enedioate (en)2-Butenedioic acid, dimethyl ester (en)
NSC-5161K39366X5N0DTXCID2020765CHEBI:35460RefChem:588282210-848-5dimethyl (Z)-but-2-enedioateMaleic Acid Dimethyl Ester
Datenbank-Bezeichner
- CAS
23055-10-9、624-48-6- PubChem CID
- 5271565
- DTXSID
DTXSID4040765- ChEMBL
CHEMBL2259700- ChEBI
CHEBI:35460- UNII
- K39366X5N0
- EC Number
- 210-848-5
- Nikkaji
- J45.018I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 141
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsEmollient
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.3 [mmHg]
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 101 · 101-102 °C (sublm)
- Siedepunkt
- 215 · 215-220 °C
- Dichte
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING - EMOLLIENTSOLVENT
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 175 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Gefahrenhinweise
Regulatory Information
Chemical: 2-Butenedioic acid, (Z)-, dimethyl ester
Chemical: 2-Butenedioic acid, dimethyl ester
Status: Active Update: 06-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10938
2-Butenedioic acid (2Z)-, dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Maleic acid esters (short chain)
Hazards Summary
A skin and eye irritant in rabbits; Skin sensitization observed in guinea pigs; [EPA ChAMP: Screening Level Hazard Characterization] A mild to severe eye irritant; Dermal LD50 (rabbit) = 530 uL/kg; [RTECS] Causes burns; May cause skin sensitization; Harmful by ingestion; ECHA REACH Registrations] A skin and strong eye irritant; May cause skin sensitization; Harmful by ingestion; Toxic by skin absorption; [Sigma-Aldrich MSDS] See Maleic acid.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (ingestion) - category 4
Acute toxicity (Oral) - Category 4
Skin sensitization - Category 1A
Toxikologische Informationen
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC (mouse) > 1,500 mg/m3/10min
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make chemicals and polymers; [IUCLID] Used to make fine and large scale chemicals; [ECHA REACH Registrations]
Use ClassificationCosmetics -> Emollient
General Manufacturing Information2-Butenedioic acid (2Z)-, 1,4-dimethyl ester: ACTIVE
Anbieter5 Anbieter
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
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