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CAS No.: | 7195-43-9 |
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Name: | bis(2,3-epoxypropyl) isophthalate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C14H14O6S |
Molecular Weight: | 278.262 |
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; |
EINECS: | 230-564-5 |
Density: | 1.352 g/cm3 |
Melting Point: | 61 - 63 °C |
Boiling Point: | 418.369 °C at 760 mmHg |
Flash Point: | 187.274 °C |
Solubility: | Insoluble in water |
Appearance: | white solid |
PSA: | 77.66000 |
LogP: | 0.79780 |
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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. |