1843-03-4

Basic information

• Product Name: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE
• Synonyms: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE;1,1,3-TRIS-(2-TERT-BUTYL-4-HYDROXY-5-METHYLPHENYL)-BUTANE;1,1,3-tris(2-methyl-4-hydroxy-5-tert-butylphenyl);4,4’,4’’-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methylp;4,4’,4’’-(1-methyl-1-propanyl-3-ylidene)tris(6-tert-butyl-m-creso;4,4’,4’’-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-Phenol;gsy930;henol)
• CAS NO: 1843-03-4
• Molecular Formula: C₃₇H₅₂O₃
• Molecular Weight: 544.81
• EINECS: 217-420-7
• Product Categories: Industrial/Fine Chemicals;Organics
• Mol File: 1843-03-4.mol
• Article Data: 23

Chemical Properties

• Melting Point: 183-190 °C(lit.)
• Boiling Point: 578.54°C (rough estimate)
• Flash Point: 225 °F
• Appearance: /
• Density: 0.5g/cm3
• Vapor Pressure: 1.91E-15mmHg at 25°C
• Refractive Index: 1.5800 (estimate)
• PKA: 10.38±0.20(Predicted)
• Water Solubility: 0.02ng/L at 20℃
• CAS DataBase Reference: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE(1843-03-4)
• EPA Substance Registry System: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE(1843-03-4)

Safety Data

• WGK Germany: 1
• RTECS: SM1157000
• Hazardous Substances Data: 1843-03-4(Hazardous Substances Data)

Usage

Chemical Properties

1,1,3-Tris(2-Methyl-4-hydroxy-5-tert-butylphenyl)butane is a white crystalline powder.

Uses

1,1,3-Tris(2-Methyl-4-hydroxy-5-tert-butylphenyl)butane is an excellent phenolic antioxidant and can be used as a stabilizer in polypropylene, polyethylene, polyvinyl chloride, ABS, polyoxymethylene and other resins and light-colored rubber products. It works synergistically with the antioxidant DLTP.

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3

Synthetic route

2,2,6,6-Tetramethyl-1-piperidinyloxy free radical (2564-83-2, 45842-10-2) + 1,1,3-tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane (1843-03-4) → C37H52O3*3C9H18NO

Conditions	Yield
In toluene	86%

(E)-3-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]prop-2-enoic acid (125274-23-9) + 1,1,3-tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane (1843-03-4) → CLM_007

Conditions	Yield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In N,N-dimethyl-formamide at 20℃; for 24h;	70%

1,1,3-tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane (1843-03-4) + dimethylchloromethylphosphine oxide (1638-75-1) → 1,1,3-tris(5'-tert-butyl-2'-methyl-4'-dimethylphosphinylmethyleneoxybenzene)butane (139613-06-2)

Conditions	Yield
With sodium hydroxide
With sodium 1) xylene, MeOH, 2) xylene, reflux, 8 h; Yield given. Multistep reaction;

1,1,3-tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane (1843-03-4) + N,N-dimethyl-formamide (68-12-2, 33513-42-7) → C40H52O6 (21982-27-4)

Conditions	Yield
With trichlorophosphate

2-(3,5-di-tert-butyl-4-hydroxyphenyl)propionyl chloride + 1,1,3-tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane (1843-03-4) → 1,1,3-tris[2-methyl-4-(3,5-di-tert-butyl-4-hydroxyphenylpropionyloxy)-5-tert-butylphenyl]butane

Conditions	Yield
With triethylamine In water; toluene

Downstream Products

• 21982-27-4 C₄₀H₅₂O₆ 
• 139613-06-2 1,1,3-tris(5'-tert-butyl-2'-methyl-4'-dimethylphosphinylmethyleneoxybenzene)butane 

Relevant articles and documents

COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL

Provided is a color-developing composition containing a molecular compound which has as a component compound a compound represented by formula (I) [wherein Y represents a C1-C12 hydrocarbon group which is chained or branched and saturated or unsaturated, or a C1-C8 hydrocarbon group which is chained or branched, saturated or unsaturated and has an ether or thioether bond; R1, R2, R3 and R4 each independently represent a C1-C6 alkyl group or C2-C6 alkenyl group; n, p, q and r each represents any integer of 0 to 4; and m represents any integer of 0 to 2]. Also provided is a recording material with a sufficient color-forming sensitivity, superior storage stability, and especially with an extremely little background fogging in a heat resistance test.

Mixture of substances containing compounds with vinyl groups and stabilizers

A mixture contains one or more vinyl-containing compounds as component (A) and, as a further component, a stabilizer (B) which contains one or more readily volatile nitroxyl compounds as component (b1), one or more sparingly volatile nitroxyl compounds as component (b2), if required one or more aromatic nitro compounds as component (b3) and, if required, one or more iron compounds as component (b4).Stabilizers (B) contain the components (b1) and (b2), (b1) and (b2) and (b3), (b1) and (b2) and (b4), and (b1), (b2), (b3) and (b4), and the premature polymerization of vinyl-containing compounds during their purification or distillation is inhibited by a process in which a stabilizer (B) is added or the components of stabilizer (B) are added as individual substances or in at least two groups of the components.

Phenolic compounds

A phenolic compound having formula (I): STR1 wherein X represents a chlorine atom or a methyl group, and a recording material comprising a coloress or light-colored leuco dye and the above phenolic compound serving as a color developer for the leuco dye are disclosed.