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| CAS No.: | 999-21-3 |
|---|---|
| Name: | Diallyl maleate |
| Molecular Structure: | |
|
|
|
| Formula: | C10H12O4 |
| Molecular Weight: | 196.203 |
| 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; |
| EINECS: | 213-658-0 |
| Density: | 1.064g/cm3 |
| Melting Point: | 47 °C(lit.) |
| Boiling Point: | 263.7 °C at 760 mmHg |
| Flash Point: | 124.6 °C |
| Solubility: | Soluble in water 151.2 mg/L @ 25°C. |
| Appearance: | Colorless transparent oily liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 21/22-36/37/38 |
| Safety: | 26-36/37 |
| Transport Information: | UN 2810 |
| PSA: | 52.60000 |
| LogP: | 1.00100 |
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Chemistry
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
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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn
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.
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 .