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Diallyl maleate
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Name

Diallyl maleate

 EINECS 213-658-0
CAS No. 999-21-3 Density 1.064g/cm3
PSA 52.60000 LogP 1.00100
Solubility Soluble in water 151.2 mg/L @ 25°C. Melting Point 47 °C(lit.)
Formula C10H12O4 Boiling Point 263.7 °C at 760 mmHg
Molecular Weight 196.203 Flash Point 124.6 °C
Transport Information UN 2810 Appearance Colorless transparent oily liquid
Safety 26-36/37 Risk Codes 21/22-36/37/38
Molecular Structure Molecular Structure of 999-21-3 (Diallyl maleate) Hazard Symbols HarmfulXn
Synonyms

2-Butenedioicacid (2Z)-, di-2-propenyl ester (9CI);2-Butenedioic acid (Z)-, di-2-propenylester;Maleic acid, diallyl ester (6CI,8CI);2-Butenedioic acid(2Z)-, 1,4-di-2-propen-1-yl ester;

Article Data 10

Diallyl maleate Chemical Properties

Structure of Diallyl maleate (CAS NO.999-21-3):

IUPAC Name: bis(prop-2-enyl) (Z)-but-2-enedioate
Empirical Formula: C10H12O4
Molecular Weight: 196.1999 
EINECS: 213-658-0 
Index of Refraction: 1.469
Molar Refractivity: 51.43 cm3
Molar Volume: 184.3 cm3
Polarizability: 20.39×10-24cm3
Surface Tension: 33.8 dyne/cm
Density: 1.064 g/cm3
Flash Point: 124.6 °C
Enthalpy of Vaporization: 50.16 kJ/mol 
Melting Point: −47 °C(lit.)
Boiling Point: 263.7 °C at 760 mmHg
Vapour Pressure: 0.0101 mmHg at 25°C 
Product Categories: Pharmaceutical Intermediates;Allyl Monomers;Monomers;Polymer Science 
Canonical SMILES: C=CCOC(=O)C=CC(=O)OCC=C
Isomeric SMILES: C=CCOC(=O)/C=C\C(=O)OCC=C
InChI: 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

Diallyl maleate Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),60.
2.    

skn-rbt 500 mg MOD

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
3.    

eye-rbt 100 mg

     AJOPAA    American Journal of Ophthalmology. 29 (1946),1363.
4.    

orl-rat LD50:300 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),60.
5.    

orl-mus LD50:493 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
6.    

ipr-mus LD50:160 mg/kg

     SCCUR*    Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583)
7.    

skn-rbt LD50:1150 mg/kg

     JIHTAB    Journal of Industrial Hygiene and Toxicology. 31 (1949),60.

Diallyl maleate Consensus Reports

Reported in EPA TSCA Inventory.

Diallyl maleate Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 21/22-36/37/38 
R21/22:Harmful in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: ON0700000
HazardClass: 6.1
PackingGroup: III
Poison by ingestion and intraperitoneal routes. Moderately toxic by skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS and ESTERS.

Diallyl maleate Specification

  Diallyl maleate , its cas register number is 999-21-3. It also can be called 4-02-00-02214 (Beilstein Handbook Reference) ;
 AI3-02531 ; Diallylester kyseliny maleinove ; Sipomer DAM ; 2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester ; 2-Butenedioic acid (2Z)-, di-2-propenyl ester .

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