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Name	Cromoglicic acid	EINECS	240-279-8
CAS No.	16110-51-3	Density	1.623 g/cm³
PSA	173.71000	LogP	2.11450
Solubility	N/A	Melting Point	241-242 °C
Formula	C₂₃H₁₆O₁₁	Boiling Point	752.3 °C at 760 mmHg
Molecular Weight	512.337	Flash Point	263.9 °C
Transport Information	N/A	Appearance	Solid
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxytrimethylene)dioxy]bis[4-oxo- (8CI);1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane;1,3-Bis(2-carboxychromon-5-yloxy)propan-2-ol;1,3-Bis(2-carboxychromone-7-yloxy)-2-hydroxypropane;1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol;5,5'-(2-Hydroxy-1,3-propanediyldioxy)bis(4-oxo-4H-1-benzopyran-2-carboxylicacid);5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid);5,5'-(2-Hydroxytrimethylenedioxy)bis[4-oxo-4H-1-benzopyran-2-carboxylic acid];Cromoglicic acid;Cromoglycic acid;Cromolyn;Duracroman;

Cromoglicic acid Synthetic route

: 15826-37-6
disodium cromoglicate

: 16110-51-3
cromoglicinic acid

Conditions

Conditions	Yield
With hydrogenchloride In water pH=3;	66%
With hydrogenchloride In water pH=3;	66%
With hydrogenchloride In water at 20℃; pH=2;

: 15826-37-6
disodium cromoglicate

A: 16110-51-3
cromoglicinic acid

B [(2-hydroxytrimethylene)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylic acid): [(2-hydroxytrimethylene)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylic acid)

Conditions

Conditions	Yield
In disodium salt of cromolyn

: 16110-51-3
cromoglicinic acid

: 194920-62-2
tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate

: 936098-08-7
C38H46N2O15

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;	67%

: 16110-51-3
cromoglicinic acid

: 36805-97-7
N,N-dimethylformamide di-tert-butyl acetal

: 5,5’-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-4H-1-benzopyran-2-carboxylic acid di-tert-butyl ester]

Conditions

Conditions	Yield
In toluene Reflux;	30%

: 16110-51-3
cromoglicinic acid

: disodium cromoglycate-3,3'-d2

Conditions

Conditions	Yield
With water-d2; sodium hydrogencarbonate; rhodium(III) chloride 1.) dioxane, reflux, 12 h; Multistep reaction;

: 67-56-1
methanol

: 16110-51-3
cromoglicinic acid

: 51471-26-2
1,3-bis(2-methoxycarbonylchromon-5-yloxy)propan-2-ol

Conditions

Conditions	Yield
With hydrogenchloride Heating;

: 16110-51-3
cromoglicinic acid

: 108-24-7
acetic anhydride

: O-Acetyl-cromoglicinsaeure

Conditions

Conditions	Yield
for 1h; Heating;

: 16110-51-3
cromoglicinic acid

: 5-(8,10-Dimethyl-9,11-dioxo-8,9,10,11-tetrahydro-2H-pyrano[4',3',2':4,5]chromeno[2,3-d]pyrimidin-2-yliden)-1,3-dimethyl-hexahydro-2,4,6-pyrimidintrion

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1 h / Heating 2: 0.034 g / acetic acid; acetic anhydride / 1.5 h / Heating View Scheme

: 16110-51-3
cromoglicinic acid

: C27H22O12

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / Heating 2: acetic acid / 1.5 h / Heating View Scheme

: 16110-51-3
cromoglicinic acid

: 5,5'-(2-Hydroxypropan-1,3-diyldioxy)bis{4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-4-pyrazolyl)imino]-4H-chromen-2-carbonsaeuremethylester}-tetraperchlorat

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HCl / Heating 2: 7.8 percent / aq. HClO4 / methanol / 0.83 h / Heating View Scheme

Cromoglicic acid Chemical Properties

IUPAC Name: 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
Empirical Formula: C₂₃H₁₆O₁₁
Molecular Weight: 468.3665g/mol
EINECS: 240-279-8
Structure of 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo- (CAS NO.16110-51-3):

Index of Refraction: 1.681
Molar Refractivity: 109.17 cm³
Molar Volume: 288.5 cm³
Polarizability: 43.28×10^-24cm³
Surface Tension: 82.9 dyne/cm
Density: 1.623 g/cm³
Flash Point: 263.9 °C
Enthalpy of Vaporization: 115.04 kJ/mol
Melting Point: 241-242°C
Boiling Point: 752.3 °C at 760 mmHg
Vapour Pressure: 8.92E-24 mmHg at 25°C
Product Categories: Pharmaceutical
Canonical SMILES: C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O
InChI: InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)
InChIKey: IMZMKUWMOSJXDT-UHFFFAOYSA-N

Cromoglicic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 2150mg/kg (2150mg/kg)		United States Patent Document. Vol. #4407810,

Cromoglicic acid Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS: DJ2380000
Hazardous Substances Data: 16110-51-3(Hazardous Substances Data)

Cromoglicic acid Specification

4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo- , its cas register number is 16110-51-3. It also can be called 1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane ; 1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol ; 5,5'-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic acid) ; Acide cromoglicique ; Acido cromoglicico ; Acidum cromoglicicum ; Cromoglicic acid ; Cromoglycic acid ; Cromolyn ; HSDB 3308 ; UNII-Y0TK0FS77W . 4H-1-Benzopyran-2-carboxylicacid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo- (CAS NO.16110-51-3) is a solid which is irritating to eyes, respiratory system and skin.

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