ChemicalBook CAS DataBase List 126-00-1

126-00-1

Name	Diphenolic acid
CAS	126-00-1
EINECS(EC#)	204-763-2
Molecular Formula	C17H18O4
MDL Number	MFCD00002800
Molecular Weight	286.32
MOL File	126-00-1.mol

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

Chemical Properties

Melting point	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
solubility	DMSO (Slightly), Methanol (Slightly)
form	Solid
pka	4.66±0.10(Predicted)
color	White to Off-White
Merck	14,3312
BRN	1886361
Cosmetics Ingredients Functions	VISCOSITY CONTROLLING
InChI	1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)
InChIKey	VKOUCJUTMGHNOR-UHFFFAOYSA-N
SMILES	CC(CCC(O)=O)(c1ccc(O)cc1)c2ccc(O)cc2
LogP	2.890 (est)
CAS DataBase Reference	126-00-1(CAS DataBase Reference)
EPA Substance Registry System	126-00-1(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R36:Irritating to the eyes. less more
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 . less more
WGK Germany	3
F	10
TSCA	Yes
HS Code	29182900
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products

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.

Definition

ChEBI: Diphenolic acid is a bisphenol.

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

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.]

Spectrum Detail

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