UCSF

ZINC00056434

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: Bisphenol A Bisphenol A

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102438-62-0 , 1565-94-2 , 227947-06-0 , 3253-39-2 , 80-05-7

Other Names:

"Bisphenol A, 96%"

(1-methylethylidene)bis-Phenol;1,1'-(1-Methylethylidene)bisphenylol, 9CI;2, 2-Bis(4-hydroxyphenyl)propane;2, 2-Bis(hydroxyphenyl)propane;2, 2-Di(4-phenylol)propane;2,2'-Bis(4-hydroxyphenyl)propane;2,2-(4,4'-Dihydroxydiphenyl)propane;2,2-(4,4-Dihydroxydiph

2,2-(4,4'-Dihydroxydiphenyl)propane; 2,2-Bis(4'-hydroxyphenyl)propane; 2,2-Bis(4-Hydroxyphenyl)propane; 2,2-Bis(hydroxyphenyl)propane; 2,2-Bis(p-hydroxyphenyl)propane; 2,2-Bis-4'-hydroxyfenylpropan [Czech]; 2,2-Di(4-hydroxyphenyl)propane; 2,2-di(4-phenylo

2,2-Bis(4-Hydroxyphenyl)Hexafluoropropane [1478-61-1]; (Hexafluorobisphenol A, Bis-AF, Hexafluoroacetone bisphenol, bisphenol AF)

2,2-Bis(4-hydroxyphenyl)propane

2,2-Bis(4-Hydroxyphenyl)propane; 80-05-7; Bisphenol A; C13624

2,2-Bis(p-hydroxyphenyl)propane; 2,2-Di(4-hydroxyphenyl)propane; 2,2-Di(4-phenylol)propane; 4,4'-(1-Methylethylidene)bisphenol; 4,4'-Bisphenol A; 4,4'-Isopropylidenediphenol; bisphenol A

4,4'-(1-Methylethylidene)bisphenol disodium salt; 4,4'-Isopropylidinebisphenol, disodium salt; Bisphenol A disodium salt; Bisphenol A sodium salt; C15H14O2.2Na; Diphenylolpropane disodium salt; Disodium 4,4'-isopropylidenediphenolate; EINECS 219-488-3; HS

4,4'-(Propane-2,2-diyl)diphenol

4,4'-Isopropylidenediphenol

4,4'-Isopropylidenediphenol DiMethacrylate

4,4'-Isopropylidenediphenol, 97%

4,4'-isopropylidenediphenoldimethacrylate

4,4'-propane-2,2-diyldiphenol

4-[1-(4-hydroxyphenyl)-1-methylethyl]phenol

4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

Bisphenol A, (chloromethyl)orirane, diethylenetriamine polymer; Diethylenetriamine, 4,4'-(1-methylethylidene)bisphenol, chloromethyl)oxirane polymer; Diethylenetriamine, bisphenol A, epichlorohydrin polymer; ED 20 - diethylenetriamine copolymer; Epi-cure

Bisphenol A, 97+%

Bisphenol A;2,2-Bis(4-hydroxyphenyl) propane

BISPHENOL-A-2,2',6,6'-D4

Bisphenol-A-polycarbonate; Carbonic acid, polyester with 4,4'-isopropylidenediphenol; Carbonic acid, polymer with 4,4'-(1-methylethylidene)bis(phenol); LS-195459

Bisphenol-α-2,2',6,6'-d4

BisphenolA(3-chloro-2-hydroxypropyl)(2,3-dihydroxypropyl)ether

BisphenolAglycerolatedimethacrylate

BPA

CHEBI:47094; CHEBI:22900; CHEBI:31295

EINECS 292-238-9; LS-148262; Sulfurous acid, monosodium salt, reaction products with bisphenol A disodium salt and formaldehyde; Synektan NPP

LS-106678; Phenol, 4,4'-(1-methylethylidene)bis-, polymer with diphenyl methylphosphonate; Phosphonic acid, methyl-, diphenyl ester, polymer with 4,4'-(1-methylethylidene)bis(phenol)-

LS-64011

MFCD00002366

MFCD04220985

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 3.86 -6.19 2 2 0 40 228.291 2 ↓
Hi High (pH 8-9.5) 3.37 4.62 -48.62 1 2 -1 43 227.283 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 153-158? Alfa-Aesar
Melting_Point 153-158° Alfa-Aesar
Mp [°C] 155 - 158 Acros Organics
MP 156 TCI
Boiling_Point 200?/4mm Alfa-Aesar
Boiling_Point 200°/4mm Alfa-Aesar
BP [°C] 220 (p=4 torr) Acros Organics
MP 31 - 32 Enamine Building Blocks
MP 31...32 Enamine Building Blocks
ALOGPS_SOLUBILITY 8.65e-02 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
therap endocrine disruptor, plastic monomer MicroSource Spectrum
Patent Database Links EP0803338; EP0989124; EP1004623; EP1110966; EP1132449; EP1225172; EP1260498; EP1426358; EP1445769; EP1508321; EP1541567; EP1666538; EP1787661; EP1787971; EP1939193; EP1953155; EP1970391; EP1980296; US2006188545; US2007048848; US2007232718; US2007237810; U ChEBI
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H317: May cause an allergic skin reaction; H335: May cause respiratory irritation; H361f: Suspected of damaging fertility Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothi Acros Organics
R phrase R37: Irritating to respiratory system. Acros Organics
R phrase R37: Irritating to respiratory system.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact.; R52: Harmful to aquatic organisms.; R62: Possible risk of impaired fertility. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S46: If swallowed, seek medical advice immediately and show this container o Acros Organics
UniProt Database Links TTHY_XENLA ChEBI
Hazard XN: Harmful Acros Organics

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