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Bis(2,3-epoxypropyl) isophthalate

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Name

Bis(2,3-epoxypropyl) isophthalate

EINECS 230-564-5
CAS No. 7195-43-9 Density 1.352 g/cm3
PSA 77.66000 LogP 0.79780
Solubility Insoluble in water Melting Point 61 - 63 °C
Formula C14H14O6S Boiling Point 418.369 °C at 760 mmHg
Molecular Weight 278.262 Flash Point 187.274 °C
Transport Information N/A Appearance white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7195-43-9 (bis(2,3-epoxypropyl) isophthalate) Hazard Symbols N/A
Synonyms

1,3-Benzenedicarboxylicacid, bis(oxiranylmethyl) ester (9CI);Isophthalic acid, bis(2,3-epoxypropyl)ester (7CI,8CI);1-Propanol, 2,3-epoxy-, isophthalate (2:1) (8CI);Diglycidyl isophthalate;Diglycidyl m-phthalate;Isophthalic acid diglycidyl ester;

Article Data 2

Bis(2,3-epoxypropyl) isophthalate Specification

The Bis(2,3-epoxypropyl) isophthalate, with the CAS registry number 7195-43-9, is also known as Isophthalic acid diglycidyl ester. This chemical's molecular formula is C14H14O6S and molecular weight is 278.26. What's more, its systematic name is Bis(2-oxiranylmethyl) isophthalate. Its classification code is Mutation data.

Physical properties of Bis(2,3-epoxypropyl) isophthalate are: (1)ACD/LogP: 1.407; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 6.91; (6)ACD/BCF (pH 7.4): 6.91; (7)ACD/KOC (pH 5.5): 138.77; (8)ACD/KOC (pH 7.4): 138.77; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 77.66 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 67.481 cm3; (15)Molar Volume: 205.831 cm3; (16)Polarizability: 26.751×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 187.274 °C; (20)Enthalpy of Vaporization: 67.19 kJ/mol; (21)Boiling Point: 418.369 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC1OC1)c3cc(C(=O)OCC2OC2)ccc3
(2)Std. InChI: InChI=1S/C14H14O6/c15-13(19-7-11-5-17-11)9-2-1-3-10(4-9)14(16)20-8-12-6-18-12/h1-4,11-12H,5-8H2
(3)Std. InChIKey: ZXOATMQSUNJNNG-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3900mg/kg (3900mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(4), Pg. 20, 1991.
rat LD50 oral 1gm/kg (1000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 35(4), Pg. 20, 1991.

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