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126-00-1

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Identification

Name
Diphenolic acid
CAS
126-00-1
Synonyms
4,4-BIS(4-HYDROXYPHENYL)-N-VALERIC ACID
4,4-BIS(4-HYDROXYPHENYL)PENTANOIC ACID
4,4-BIS(4-HYDROXYPHENYL)VALERIC ACID
4,4-BIS(P-HYDROXYPHENYL)PENTANOIC ACID
4,4'-BIS(P-HYDROXYPHENYL)VALERIC ACID
4,4-BIS(P-HYDROXYPHENYL)VALERIC ACID
CTFA
DIPHENOLIC ACID
G,G-BIS(4-HYDROXYPHENYL)VALERIC ACID
TIMTEC-BB SBB009924
,-Bis(p-hydroxyphenyl)valericacid
4,
4,4-bis(4-hydroxyphenyl)valeric
4-Hydroxy-(4-hydroxyphenyl)benzenebutanoicacid
4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-benzenebutanoicaci
4,4-BIS(4-HYDROXYPHENYL)VALERIC ACID, 95 %
4,4-BIS-(4-HYDROXYPHENYL)-N-VALERICACID(DIPHENOLICACID)
4-hydroxy-gamma-(4-hydroxyphenyl)-gamma-methyl-benzenebutanoic acid
4,4-Di(4'-hydroxyphenyl)pentanoic acid
4-Hydroxy-γ-(4-hydroxyphenyl)-γ-methylbenzenebutanoic acid
EINECS(EC#)
204-763-2
Molecular Formula
C17H18O4
MDL Number
MFCD00002800
Molecular Weight
286.32
MOL File
126-00-1.mol

Chemical Properties

Melting point 
167-170 °C(lit.)

mp 
167-170 °C(lit.)

Boiling point 
388.69°C (rough estimate)
density 
1.30
refractive index 
1.5450 (estimate)
Fp 
208°C
storage temp. 
Inert atmosphere,Room Temperature
pka
4.66±0.10(Predicted)
Merck 
14,3312
BRN 
1886361
InChIKey
VKOUCJUTMGHNOR-UHFFFAOYSA-N
CAS DataBase Reference
126-00-1(CAS DataBase Reference)
EPA Substance Registry System
126-00-1(EPA Substance)

Safety Data

Hazard Codes 
Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R36:Irritating to the eyes.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
WGK Germany 
3


10
TSCA 
Yes
HS Code 
29182900

Raw materials And Preparation Products

Raw materials
Levulinic acid

Hazard Information

Chemical Properties
Light pink solid
Uses
Diphenolic acid (DPA) has been identified as a potential replacement for bisphenol A, which is one of the monomers for epoxy resins and polycarbonates. DPA also can Intermediate for surface coatings, lubricating oil additives, cosmetics, surfactants, plasticizers, textile chemicals.
Preparation
Diphenolic acid (DPA) can be made by the condensation reaction of levulinic acid with phenol in the presence of acid catalysts.
Synthesis of diphenolic acid from levulinic acid
Synthesis of diphenolic acid from levulinic acid
Industrial uses
Diphenolic acid, the condensation product of levulinic acid and phenol, is useful in the preparation of the modified phenol formaldehyde resins, polyether resins and as monocarboxilic acid chain stopper in alkyd resin (Bader, 1960). Further, diphenolic acid can be substituted for bis-phenol A, the primary raw material for production of epoxy resin.
Purification Methods
When recrystallised from *C6H6, the crystals have 0.5 mol of *C6H6 (m 120-122o), and when recrystallised from toluene, the crystals have 0.5 mol of toluene. Purify the acid by recrystallisation from hot H2O. It is soluble in Me2CO, AcOH, EtOH, propan-2-ol, methyl ethyl ketone. It can also be recrystallised from AcOH, heptane/Et2O or Me2CO/*C6H6. It has max 225 and 279nm in EtOH. The methyl ester has m 87-89o (aqueous MeOH to give the trihydrate). [Bader & Kantowicz J Am Chem Soc 76 4465 1954, Beilstein 10 IV 1890.]

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