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

Details

Stereochemistry	RACEMIC
Molecular Formula	C37H52O3
Molecular Weight	544.807
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1,3-TRI(3-TERT-BUTYL-4-HYDROXY-6-METHYLPHENYL)BUTANE

Structure Search

SMILES

CC(CC(C1=C(C)C=C(O)C(=C1)C(C)(C)C)C2=C(C)C=C(O)C(=C2)C(C)(C)C)C3=C(C)C=C(O)C(=C3)C(C)(C)C

InChI

InChIKey=PRWJPWSKLXYEPD-UHFFFAOYSA-N

InChI=1S/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

HIDE SMILES / InChI

Molecular Formula	C37H52O3
Molecular Weight	544.807
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:52:30 GMT 2025` Edited by `admin` on `Mon Mar 31 22:52:30 GMT 2025`
Record UNII	BF6E9O0XJN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOPANOL CA

Preferred Name

English

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

Systematic Name

English

TRI(BUTYLCRESYL)BUTANE

Systematic Name

English

PHENOL, 4,4',4''-(1-METHYL-1-PROPANYL-3-YLIDENE)TRIS(2-(1,1-DIMETHYLETHYL)-5-METHYL-

Systematic Name

English

4,4',4''-(1-METHYLPROPANYL-3-YLIDENE)TRIS(6-TERT-BUTYL-M- CRESOL)

Common Name

English

1,1,3-TRIS(5-TERT-BUTYL-4-HYDROXY-2-METHYLPHENYL)BUTANE

Systematic Name

English

M-CRESOL, 4,4',4''-(1-METHYL-1-PROPANYL-3-YLIDENE)TRIS(6-TERT-BUTYL-

Systematic Name

English

4,4',4''-(1-METHYL-1-PROPANYL-3-YLIDENE)TRIS(2-(1,1- DIMETHYLETHYL- )-5-METHYLPHNOL)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID0038883