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4,4′-Butylidenebis(3-Methyl-6-Tert-Butylphenol)
CAS: 85-60-9 | C26H38O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
85-60-9
Molecular Formula:
C26H38O2
Molecular Mass:
382.59 g/mol
Names and Synonyms:
4,4′-Butylidenebis(3-Methyl-6-Tert-Butylphenol)
Phenol, 4,4′-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-
m-Cresol, 4,4′-butylidenebis[6-tert-butyl-
4,4′-Butylidenebis[2-(1,1-dimethylethyl)-5-methylphenol]
1,1-Bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane
4,4′-Butylidenebis[6-tert-butyl-3-methylphenol]
Santowhite Powder
4,4′-Butylidenebis[2-tert-butyl-5-methylphenol]
1,1-Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl)butane
4,4′-Butylidenebis[3-methyl-6-tert-butylphenol]
1,1-Bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butane
1,1-Bis(4-hydroxy-3-tert-butyl-6-methylphenyl)butane
4,4′-Butylidenebis[6-tert-butyl-m-cresol]
Anullex PBA 15
SWP (antioxidant)
1,1-Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)butane
Sumilizer BBM
SWP
BBM
Santowhite
Noclizer NS 30
Yoshinox BB
Antage W 300
Sumilizer BBM-S
Annulex PBA 15
Nonflex BB
Vanox SWP
1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane
Santowhite AW 300
ADK Stab AO 40
BBM-S
Nocrac NS 30
Selosol G 969
Mark AO 40
Lowinox 44B25
DH 26
NSC 67485
Antioxidant BBM
4,4′-Butylidenebis(3-methyl-6-t-butylphenol)
4,4′-Butylidenebis(3-methyl-6-tert-butylphenol)
4,4′-Butylidenebis(6-tert-butyl-3-methylphenol)
NS 30
W 300
Antioxidant W 300
Songnox 4425
ADK-AO 40
4,4′-Butylidene-bis-(2-tert-butyl-5-methyl-phenol)
2-tert-Butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
TS 376
AO 40
Identifiers:
SMILES:
CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C
InChI:
InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3
Key Properties
Melting Point
209 °C
CAS Common Chemistry
Density
1.03 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 382.59 g/mol | CAS Common Chemistry |
| 382.5880000000002 g/mol | RDKit | |
| 382.287180456 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.03 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Canonical SMILES | OC=1C=C(C(=CC1C(C)(C)C)C(C2=CC(=C(O)C=C2C)C(C)(C)C)CCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PFANXOISJYKQRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 209 °C | CAS Common Chemistry |
| Name | 4,4′-Butylidenebis(3-methyl-6-tert-butylphenol) | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 7.241640000000008 | RDKit |
| Molar Refractivity | 119.83860000000007 | RDKit |
