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Basic Information
CAS No.: 2444-90-8
Name: disodium 4,4'-isopropylidenediphenolate
Article Data: 8
Molecular Structure:
Molecular Structure of 2444-90-8 (disodium 4,4'-isopropylidenediphenolate)
Formula: C15H16 O2 . 2 Na
Molecular Weight: 272.255
Synonyms: Phenol,4,4'-(1-methylethylidene)bis-, disodium salt (9CI); Phenol,4,4'-isopropylidenedi-, disodium deriv. (6CI); Phenol, 4,4'-isopropylidenedi-,disodium salt (8CI); Sodium, [isopropylidenebis(p-phenyleneoxy)]di- (7CI);2,2-Bis(4-hydroxyphenyl)propane disodium salt; Bisphenol A disodium salt;Bisphenol A sodium salt; Diphenylolpropane disodium salt
Density: 1.143g/cm3
Melting Point: 150-155oC (solidification range)
Boiling Point: 400.8°Cat760mmHg
Flash Point: 192.4°C
Hazard Symbols: Moderately toxic by ingestion and skin contact. A moderate skin and severe eye irritant.
Safety: Moderately toxic by ingestion and skin contact. A moderate skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 46.12000
LogP: 4.30010
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Chemistry

IUPAC Name: Disodium 4-[2-(4-oxidophenyl)propan-2-yl]phenolate 
Synonyms of Bisphenol A disodium salt (CAS NO.2444-90-8): 4,4'-(1-Methylethylidene)bisphenol disodium salt ; 4,4'-Isopropylidinebisphenol, disodium salt ; Bisphenol A sodium salt ; Diphenylolpropane disodium salt ; Phenol, 4,4'-(1-methylethylidene)bis-, disodium salt ; Phenol, 4,4'-isopropylidenedi-, disodium deriv. (6CI) ; Phenol, 4,4'-isopropylidenedi-, disodium salt ; Disodium 4,4'-isopropylidenediphenolate ; Phenol, 4,4'-(1-methylethylidene)bis-, sodium salt (1:2) ; Phenol, 4,4'-isopropylenedi-, disodium salt (8CI)
InChI: InChI=1/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2 
InChIKey: WGMBWDBRVAKMOO-NUQVWONBAO 
Std. InChI: InChI=1S/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2
Std. InChIKey: WGMBWDBRVAKMOO-UHFFFAOYSA-L 
CAS NO: 2444-90-8                
Molecular Formula: C15H14Na2O2                                            
Molecular Weight: 272.25                                                           
Molecular Structure :
EINECS: 219-488-3
H bond acceptors:  2 
H bond donors:  2 
Freely Rotating Bonds:  4 
Polar Surface Area:  40.46 Å2 
Flash Point:  192.4 °C 
Enthalpy of Vaporization:  67.72 kJ/mol 
Boiling Point:  400.8 °C at 760 mmHg 
Vapour Pressure:  5.34E-07 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
National Technical Information Service. Vol. OTS0536776,
rat LD50 skin > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. OTS0536776,

Safety Profile

Moderately toxic by ingestion and skin contact. A moderate skin and severe eye irritant. When Bisphenol A disodium salt (CAS NO.2444-90-8) is heated to decomposition, it emits acrid smoke and irritating vapors.