Diethyl cromoglycate supplier

Name
Diethyl cromoglycate
EINECS
CAS No. 16150-45-1
Article Data6
CAS DataBase
Density 1.409 g/cm³
Solubility
Melting Point 180-182 °C(Solv: ethanol (64-17-5); benzene (71-43-2))
Formula C₂₇H₂₄O₁₁
Boiling Point 715.175 °C at 760 mmHg
Molecular Weight 524.481
Flash Point 239.049 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-, diethyl ester(9CI);4H-1-Benzopyran-2-carboxylic acid,5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo-, diethyl ester (8CI);Cromoglycicacid diethyl ester;Cromophene;Diethyl cromoglycate;diethyl chromoglycate;
PSA 151.71000
LogP 3.07150

Diethyl cromoglycate Specification

The cas register number of Diethyl cromoglycate is 16150-45-1. It also can be called as 4H-1-Benzopyran-2-carboxylic, 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-, diethyl ester and the Systematic name about this chemical is ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate.

Physical properties about Diethyl cromoglycate are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 11; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 13; (6)Polar Surface Area: 132.89Å²; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 128.12 cm³; (9)Molar Volume: 372.2 cm³; (10)Surface Tension: 60.4 dyne/cm; (11)Density: 1.408 g/cm³; (12)Flash Point: 239 °C; (13)Enthalpy of Vaporization: 109.75 kJ/mol; (14)Boiling Point: 715.2 °C at 760 mmHg; (15)Vapour Pressure: 1.82E-21 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OCC)C=4Oc3cccc(OCC(O)COc2cccc1O/C(=C\C(=O)c12)C(=O)OCC)c3C(=O)C=4
2.InChI: InChI=1/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3
3.InChIKey: KRBBSLDXYDBFEC-UHFFFAOYAC
4.Std. InChI: InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3.

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 3gm/kg (3000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 60, 1990.

Product Name

Diethyl cromoglycate

Diethyl cromoglycate Specification

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