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Antioxidant CA

Molecular FormulaC₃₇H₅₂O₃
Average mass544.807 Da
Monoisotopic mass544.391663 Da
ChemSpider ID83868

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Tri(butylcresyl)butane

1,1,3-Tri(3-tert-butyl-4-hydroxy-6-methylphenyl)butane

1843-03-4 [RN]

217-420-7 [EINECS]

4,4',4''-(1,1,3-Butanetriyl)tris[5-methyl-2-(2-methyl-2-propanyl)phenol] [ACD/IUPAC Name]

4,4',4''-(1,1,3-Butanetriyl)tris[5-méthyl-2-(2-méthyl-2-propanyl)phénol] [French] [ACD/IUPAC Name]

4,4',4''-(1,1,3-Butantriyl)tris[5-methyl-2-(2-methyl-2-propanyl)phenol] [German] [ACD/IUPAC Name]

4,4',4''-Butane-1,1,3-triyltris(2-tert-butyl-5-methylphenol)

Antioxidant CA

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-

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Phenol, 4,4',4''-(3-methyl-3-propyl-1-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl- [ACD/Index Name]

Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane

[1843-03-4] [RN]

1,1,3-Tris-(2-methyl-4-hydroxy-5-t-butylphenyl) butane

1,1,3-Tris-(2-Methyl-4-Hydroxy-5-Tert-Butyl-Phenyl)-Butane

1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE

1,1,3-Tris(2-methyl-4-OH-5-tert-butylphenyl)butane

1,1,3-TRIS(3-TERT-BUTYL-4-HYDROXY-6-METHYLPHENYL)BUTANE

1,1,3-Tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butane

4,4',4''-(1-Methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl- )-5-methylphnol)

4,4',4''-(1-Methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methylphenol)

4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)

4,4',4''-(1-methylpropanyl-3-ylidene)tris[6-tert-butyl-m-cresol]

4,4',4''-(Butane-1,1,3-triyl)tris(2-(tert-butyl)-5-methylphenol)

Lowinox CA 22

MARK AO 30

m-Cresol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(6-tert-butyl- (7CI,8CI)

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris 2-(1,1-dimethylethyl)-5-methyl-

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl- )-5-methyl-

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris(2-(1,1-dimethylethyl)-5-methyl-

Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-...

Phenol, 4,4',4''-(3-methylpropane-1,1,3-triyl)tris(2-tert-butyl-5-methyl-

Phenol, 4,4\',4\'\'-(1-methyl-1-propanyl- 3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl -

Phenol,4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris[2-(1,1-dimethylethyl)-5-methyl-

Topanol CA

Topanol SA

TPNC

Trisalkofen BMB

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BF6E9O0XJN [DBID]

UNII:BF6E9O0XJN [DBID]

407984_ALDRICH [DBID]

BRN 2318488 [DBID]

GSY 930 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  186.5 °C Jean-Claude Bradley Open Melting Point Dataset 24446
Gas Chromatography
- Retention Index (Kovats):
  
  4292 (estimated with error: 70) NIST Spectra mainlib_279758, replib_98579

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.0±0.1 g/cm³
Boiling Point:	609.4±50.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization:	93.9±3.0 kJ/mol
Flash Point:	233.4±24.7 °C
Index of Refraction:	1.558
Molar Refractivity:	169.2±0.3 cm³
#H bond acceptors:	3
#H bond donors:	3
#Freely Rotating Bonds:	8
#Rule of 5 Violations:	2

ACD/LogP:	10.97
ACD/LogD (pH 5.5):	9.97
ACD/BCF (pH 5.5):	1000000.00
ACD/KOC (pH 5.5):	6313159.00
ACD/LogD (pH 7.4):	9.97
ACD/BCF (pH 7.4):	1000000.00
ACD/KOC (pH 7.4):	6306369.50
Polar Surface Area:	61 Å²
Polarizability:	67.1±0.5 10^-24cm³
Surface Tension:	38.8±3.0 dyne/cm
Molar Volume:	524.7±3.0 cm³

Click to predict properties on the Chemicalize site

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Antioxidant CA

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Experimental Melting Point:

Retention Index (Kovats):

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