- Diglycolic acid
- Diglycolic acid, diallyl ester
- Diglycolic anhydride
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| Name |
Diglycolic acid, diallyl ester |
EINECS | N/A |
| CAS No. | 5441-63-4 | Density | 1.086g/cm3 |
| PSA | 61.83000 | LogP | 0.46140 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H14 O5 | Boiling Point | 277.4°Cat760mmHg |
| Molecular Weight | 214.218 | Flash Point | 117°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | R36/37/38 |
| Molecular Structure |
|
Hazard Symbols | A poison by ingestion. Moderately toxic by skin contact. |
| Synonyms |
Aceticacid, oxydi-, diallyl ester (8CI); Diglycolic acid, diallyl ester (6CI,7CI);Diallyl diglycolate; NSC 20966; NSC 40783 |
Diglycolic acid, diallyl ester Chemical Properties
Product Name: Diglycolic acid, diallyl ester (CAS NO.5441-63-4)
Molecular Formula: C10H14O5
Molecular Weight: 214.22g/mol
Mol File: 5441-63-4.mol
Boiling point: 277.4 °C at 760 mmHg
Flash Point: 117 °C
Density: 1.086 g/cm3
Surface Tension: 34.3 dyne/cm
Enthalpy of Vaporization: 51.6 kJ/mol
Vapour Pressure: 0.00453 mmHg at 25°C
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Diglycolic acid, diallyl ester (CAS NO.5441-63-4):
IUPAC Name: Prop-2-enyl 2-(2-oxo-2-prop-2-enoxyethoxy)acetate
Canonical SMILES: C=CCOC(=O)COCC(=O)OCC=C
InChI: InChI=1S/C10H14O5/c1-3-5-14-9(11)7-13-8-10(12)15-6-4-2/h3-4H,1-2,5-8H2
InChIKey: OUJKULZFRNPRHO-UHFFFAOYSA-N
Diglycolic acid, diallyl ester Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 255mg/kg (255mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961. | |
| rabbit | LDLo | skin | 1gm/kg (1000mg/kg) | Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961. | |
| rat | LDLo | oral | 250mg/kg (250mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953. |
Diglycolic acid, diallyl ester Safety Profile
A poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of Diglycolic acid, diallyl ester (CAS NO.5441-63-4):
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
RIDADR: 2810
HazardClass: 6.1(b)
PackingGroup: III
Diglycolic acid, diallyl ester Specification
Diglycolic acid, diallyl ester , its CAS NO. is 5441-63-4, the synonyms are 4-03-00-00594 (Beilstein Handbook Reference) ; AI3-08318 ; BRN 1788890 ; Diallyl diglycoate ; NSC 40783 ; Acetic acid, 2,2'-oxybis-, di-2-propenyl ester (9CI) .
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