CAS No.126-00-1,Diphenolic acid Suppliers

Products Categories

Pharmaceutical (60)
Organic Chemicals (27)
Adhesive and Sealant (12)
Others (7)
Reagent (6)
Materials (2)
Basic Inorganic Chemicals (1)
Catalyst and Auxiliary (1)

Basic Information

Molecular Structure:
CAS No.:	126-00-1
Name:	Diphenolic acid
Article Data:	13

Formula:	C₁₇H₁₈O₄
Molecular Weight:	286.328
Synonyms:	Valericacid, 4,4-bis(p-hydroxyphenyl)- (6CI,8CI);4,4-Bis(4-hydroxyphenyl)pentanicacid;4,4-Bis(4-hydroxyphenyl)pentanoic acid;4,4-Bis(4-hydroxyphenyl)valericacid;4,4-Bis(p-hydroxyphenyl)pentanoic acid;4,4-Bis(p-hydroxyphenyl)valericacid;4,4'-Bis(4-hydroxyphenyl)valeric acid;Bisphenol acid;DPA;NSC 3371;NSC 55069;γ,γ-Bis(p-hydroxyphenyl)valeric acid;
EINECS:	204-763-2
Density:	1.26 g/cm³
Melting Point:	167-170 °C(lit.)
Boiling Point:	507 °C at 760 mmHg
Flash Point:	274.5 °C
Solubility:	Soluble in acetic acid, acetone, ethanol, insoluble in benzene, carbon tetrachloride and dimethyl benzene, slightly soluble in water
Appearance:	Light brown particles
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39-36
PSA:	77.76000
LogP:	3.26860

Synthetic route

: 123-76-2
levulinic acid

: 108-95-2
phenol

: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride
With C16H28N4O6S2(2+)2CF3O3S(1-); C16H28N4O6S2(2+)2C3H7O3S2(1-) at 60℃; for 48h; Reagent/catalyst; Sealed tube; Inert atmosphere; Schlenk technique;	91 mol

: 7297-85-0
4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-benzenebutanoic acid methyl ester

: 74-88-4
methyl iodide

A: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

B: 111161-78-5
4,4-bis(4'-methoxyphenyl)pentanoic acid

C: (4'-hydroxyphenyl)-4-(4''-methoxyphenyl)pentanoic acid

Conditions

Conditions	Yield
With potassium hydroxide; cobalt(II) acetate; silver(l) oxide Product distribution; multistepreaction, degradative method for the determination of the degree of branching for hyperbranched macromolecules;

...Expand

: 7732-18-5
water

: 123-76-2
levulinic acid

: 108-95-2
phenol

mineral acid: mineral acid

: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

...Expand

: 539-88-8
4-oxopentanoic acid ethyl ester

: 108-95-2
phenol

: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

Conditions

Conditions	Yield
With sulfuric acid In water at 0 - 20℃; for 18h; Condensation;

: 123-76-2
levulinic acid

: 108-95-2
phenol

A: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

B: 1033556-25-0
C17H18O4

Conditions

Conditions	Yield
With ethanethiol at 99.84℃; for 16h; Inert atmosphere;
With C16H28N4O6S2(2+)*2C3H7O3S2(1-) at 60℃; for 48h; Reagent/catalyst; Temperature; Time; Concentration; Sealed tube; Inert atmosphere; Schlenk technique; Overall yield = 75 mol;

...Expand

: 539-88-8
4-oxopentanoic acid ethyl ester

: 108-95-2
phenol

A: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

B: 7297-86-1
ethyl diphenolate

Conditions

Conditions	Yield
With C16H28N4O6S2(2+)2CF3O3S(1-); C16H28N4O6S2(2+)2C3H7O3S2(1-) at 60℃; for 48h; Reagent/catalyst; Sealed tube; Inert atmosphere; Schlenk technique; Overall yield = 80 mol;	A 22 mol B 58 mol

...Expand

: 624-45-3
levulinic acid methyl ester

: 108-95-2
phenol

A: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

B: 7297-85-0
4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-benzenebutanoic acid methyl ester

Conditions

Conditions	Yield
With C16H28N4O6S2(2+)2CF3O3S(1-); C16H28N4O6S2(2+)2C3H7O3S2(1-) at 60℃; for 48h; Sealed tube; Inert atmosphere; Schlenk technique; Overall yield = 79 mol;	A 22 mol B 57 mol

...Expand

: 2052-15-5
butyl levulinate

: 108-95-2
phenol

A: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

B: 7297-88-3
butyl diphenolate

Conditions

Conditions	Yield
With C16H28N4O6S2(2+)2CF3O3S(1-); C16H28N4O6S2(2+)2C3H7O3S2(1-) at 60℃; for 48h; Sealed tube; Inert atmosphere; Schlenk technique; Overall yield = 81 mol;	A 16 mol B 65 mol

...Expand

: 67-56-1
methanol

: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

: 7297-85-0
4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-benzenebutanoic acid methyl ester

Conditions

Conditions	Yield
With sulfuric acid for 8h; Fischer-Speier Esterification; Reflux;	99%
With sulfuric acid for 3h; Esterification; Heating;	97%
for 2h; Reflux;	96%

: 67-56-1
methanol

: 126-00-1
4,4-bis(4-hydroxyphenyl)valeric acid

: 149-73-5
trimethyl orthoformate

: 7297-85-0
4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-benzenebutanoic acid methyl ester

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate for 16h; Reflux;	98%

...Expand

Total:92 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 126-00-1

Specification

The Benzenebutanoic acid, 4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-, with the CAS registry number 126-00-1, is also known as 4,4-Bis(p-hydroxyphenyl)valericacid. Its EINECS number is 204-763-2. This chemical's molecular formula is C₁₇H₁₈O₄ and molecular weight is 286.32. What's more, its systematic name is 4,4-bis(4-hydroxyphenyl)pentanoic acid. It is used as a pharmaceutical intermediate and widely used in food, medicine, chemical industry, light industry and other industries.

Physical properties of Benzenebutanoic acid, 4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.25; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 108.06; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 78.99 cm³; (15)Molar Volume: 227.2 cm³; (16)Polarizability: 31.31×10^-24cm³; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 274.5 °C; (20)Enthalpy of Vaporization: 81.82 kJ/mol; (21)Boiling Point: 507 °C at 760 mmHg; (22)Vapour Pressure: 4.21E-11 mmHg at 25°C.

Preparation: the crude product can be prepared by levulinic acid and phenol in the presence of catalyst, in acid medium reaction system, then refinined to the finished product.

Uses of Benzenebutanoic acid, 4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl-: it can be used to produce 4,4-bis-(4-hydroxy-phenyl)-valeric acid methyl ester by heating. It will need reagent conc. H₂SO₄ with the reaction time of 3 hours. The yield is about 97%.

Benzenebutanoic acid, 4-hydroxy-γ-(4-hydroxyphenyl)-γ-methyl- can be used to produce 4,4-bis-(4-hydroxy-phenyl)-valeric acid methyl ester by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(c1ccc(O)cc1)(c2ccc(O)cc2)C
(2)Std. InChI: 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)
(3)Std. InChIKey: VKOUCJUTMGHNOR-UHFFFAOYSA-N