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5441-63-4

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Basic Information
CAS No.: 5441-63-4
Name: DIALLYL OXYDIACETATE
Molecular Structure:
Molecular Structure of 5441-63-4 (DIALLYL OXYDIACETATE)
Formula: C10H14 O5
Molecular Weight: 214.218
Synonyms: Aceticacid, oxydi-, diallyl ester (8CI); Diglycolic acid, diallyl ester (6CI,7CI);Diallyl diglycolate; NSC 20966; NSC 40783
Density: 1.086g/cm3
Boiling Point: 277.4°Cat760mmHg
Flash Point: 117°C
Hazard Symbols: A poison by ingestion. Moderately toxic by skin contact.
Risk Codes: R36/37/38
Safety: A poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 61.83000
LogP: 0.46140
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Chemistry

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

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 Unpublished Report.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 Unpublished Report.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.

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

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) .