-
Name
METHYLPHTHALYL ETHYL GLYCOLATE
- EINECS
- CAS No. 85-71-2
- Density 1.22g/cm3
- Solubility 529.7mg/L(20 oC)
- Melting Point -35°C
- Formula C13H14 O6
- Boiling Point 360.1°C at 760 mmHg
- Molecular Weight 266.251
- Flash Point 158°C
- Transport Information
- Appearance
- Safety An eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1,2-Benzenedicarboxylicacid, 2-ethoxy-2-oxoethyl methyl ester (9CI); Phthalic acid, methyl ester,ester with ethyl glycolate (6CI,7CI,8CI); Glycolic acid, ethyl ester, methylphthalate (8CI); Ethoxycarbonylmethyl methyl phthalate; EthylO-[o-(methoxycarbonyl)benzoyl]glycolate; Methyl carbethoxymethyl phthalate;Methyl phthalyl ethyl glycolate; NSC 4836; Santicizer M-17
- PSA 78.90000
- LogP 1.19310
Methyl phthalyl ethyl glycolate Chemical Properties
Molecule structure of Methyl phthalyl ethyl glycolate (CAS NO.85-71-2) :
IUPAC Name: 1-O-(3,4-dihydroxybutyl) 2-O-methyl benzene-1,2-dicarboxylate
Molecular Weight: 268.26254 g/mol
Molecular Formula: C13H16O6
Density: 1.22 g/cm3
Boiling Point: 360.1 °C at 760 mmHg
Flash Point: 158 °C
Index of Refraction: 1.511
Molar Refractivity: 65.47 cm3
Molar Volume: 218.2 cm3
Polarizability: 25.95×10-24 cm3
Surface Tension: 43.6 dyne/cm
Enthalpy of Vaporization: 60.58 kJ/mol
Vapour Pressure: 2.27E-05 mmHg at 25 °C
XLogP3: 0.6
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 8
Exact Mass: 268.094688
MonoIsotopic Mass: 268.094688
Topological Polar Surface Area: 93.1
Heavy Atom Count: 19
Complexity: 304
Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)OCCC(CO)O
InChI: InChI=1S/C13H16O6/c1-18-12(16)10-4-2-3-5-11(10)13(17)19-7-6-9(15)8-14/h2-5,9,14-15H,6-8H2,1H3
InChIKey: YJERZJLSXBRUDQ-UHFFFAOYSA-N
EINECSof Methyl phthalyl ethyl glycolate (CAS NO.85-71-2) : 201-625-3
Methyl phthalyl ethyl glycolate Toxicity Data With Reference
| 1. | eye-rbt 500 mg | AJOPAA American Journal of Ophthalmology. 29 (1946),1363. |
Methyl phthalyl ethyl glycolate Safety Profile
An eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Methyl phthalyl ethyl glycolate Specification
Methyl phthalyl ethyl glycolate (CAS NO.85-71-2) is also called (Ethoxycarbonyl)methyl phthalate ; 4-09-00-03256 (Beilstein Handbook Reference) ; AI3-01792 ; BRN 1995396 ; Ethoxycarbonylmethyl methyl phthalate ; Ethoxykarbonylmethyl-methylester kyseliny ftalove ; Ethyl O-(o-(methoxycarbonyl)benzoyl)glycolate ; Ethyl o-(methoxycarbonyl)benzoyloxyacetate ; Ethyl o-(o-(methoxycarbonyl)benzoyl)glycolate ; Glycolic acid, ethyl ester, methyl phthalate ; Methyl carbethoxymethyl phthalate ; NSC 4836 ; Phthalic acid, monomethyl ester, ester with ethyl glycolate ; Santicizer M-17 .
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