Maleinsäure-diallylestcr

Diallyl maleate

HCID 5354266

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Grundinformationen

CAS: 999-21-3
Standard-SMILES: C=CCOC(=O)/C=C\C(=O)OCC=C
InChIKey: ZPOLOEWJWXZUSP-WAYWQWQTSA-N
Summenformel: C10H12O4
Durchschnittliche Molmasse: 196,2 g/mol
Monoisotopische Masse: 196,07355886

Überblick

See also: 2-Butenedioic acid, (Z)-, di-2-propenyl ester (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: Diallyl maleate
IUPAC: bis(prop-2-enyl) (Z)-but-2-enedioate
Lokaler Name: Maleinsäure-diallylestcr
Englischer Name: Diallyl maleate
Summenformel: C10H12O4
Molmasse: 196.2

Namen und Synonyme

Diallyl maleate999-21-3Sipomer DAMMaleic acid, diallyl ester2-Butenedioic acid (Z)-, di-2-propenyl esterDiallylester kyseliny maleinoveNSC 4799EINECS 213-658-0Maleic Acid Diallyl EsterUNII-227660Q54MDiallylester kyseliny maleinove [Czech]BRN 1725954

Weitere Namen anzeigen

sipomerdamdlallylmaleateDiallyl MaleatDially MaleateDIALLYL MALLEATEDiallylMaleate>Diallylmaleate,95%Maleic acid diallyl

bis(prop-2-enyl) (Z)-but-2-enedioateDTXSID3044752AI3-02531Diprop-2-en-1-yl (2Z)-but-2-enedioateMFCD000107632-Butenedioic acid (2Z)-, di-2-propenyl ester227660Q54M2-Butenedioic acid, di-2-propenyl ester, (Z)-

Datenbank-Bezeichner

CAS: 999-21-3
PubChem CID: 5354266
DTXSID: DTXSID3044752
ChEMBL: CHEMBL3186659
UNII: 227660Q54M
EC Number: 213-658-0
Nikkaji: J82.394E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 8
Schwere Atome: 14
Formalladung: 0
Komplexität: 227

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 47 °C · −47 °C(lit.)
Siedepunkt: 106 · 106-116 °C4 mm Hg
Dichte: 1.074 g/mL · 1.074 g/mL at 20 °C(lit.)
Dampfdichte: 6.6 · 6.6 (vs air)
Dampfdruck: 4 mm · 4 mm Hg ( 25 °C)
Brechungsindex: 20 · n20/D 1.469(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Geruch (Odor): pungent odor
Wasserlöslichkeit: 151.2 mg/L · Soluble in water 151.2 mg/L @ 25°C.
BRN: 1725954 · 1725954
InChI: 1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-
InChIKey: ZPOLOEWJWXZUSP-WAYWQWQTSA-N
SMILES: C=CCOC(=O)\C=C/C(=O)OCC=C
LogP: 2.126 · 2.126 (est)
CAS Datenbank: 999 · 999-21-3(CAS DataBase Reference)
EPA chemische Informationen: Diallyl maleate (999-21-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (90%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23360

2-Butenedioic acid (2Z)-, di-2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (90%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 29171900
RTECS-Nr.: ON0700000
risk_code: 21/22-36/37/38-22-20/21
hazard_code: Xn
safety_code: 26-36/37
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester: ACTIVE

Anwendungen

VerwendenDiallyl maleate has potential applications in polyester resins, adhesives, and ion exchange resins. When used at low levels, Diallyl Maleate is an effective agent for the promotion of branching in emulsion polymers.