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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 Weight:
382.5880000000002 g/mol
Names and Synonyms:
4,4′-Butylidenebis(3-Methyl-6-Tert-Butylphenol)
Common Name
AO 40
Synonym
TS 376
Synonym
2-tert-Butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
Synonym
4,4′-Butylidene-bis-(2-tert-butyl-5-methyl-phenol)
Synonym
ADK-AO 40
Synonym
Songnox 4425
Synonym
Antioxidant W 300
Synonym
W 300
Synonym
NS 30
Synonym
4,4′-Butylidenebis(6-tert-butyl-3-methylphenol)
Synonym
4,4′-Butylidenebis(3-methyl-6-tert-butylphenol)
Synonym
4,4′-Butylidenebis(3-methyl-6-t-butylphenol)
Synonym
Antioxidant BBM
Synonym
NSC 67485
Synonym
DH 26
Synonym
Lowinox 44B25
Synonym
Mark AO 40
Synonym
Selosol G 969
Synonym
Nocrac NS 30
Synonym
BBM-S
Synonym
ADK Stab AO 40
Synonym
Santowhite AW 300
Synonym
1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane
Synonym
Vanox SWP
Synonym
Nonflex BB
Synonym
Annulex PBA 15
Synonym
Sumilizer BBM-S
Synonym
Antage W 300
Synonym
Yoshinox BB
Synonym
Noclizer NS 30
Synonym
Santowhite
Synonym
BBM
Synonym
SWP
Synonym
Sumilizer BBM
Synonym
1,1-Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)butane
Synonym
SWP (antioxidant)
Synonym
Anullex PBA 15
Synonym
4,4′-Butylidenebis[6-tert-butyl-m-cresol]
Synonym
1,1-Bis(4-hydroxy-3-tert-butyl-6-methylphenyl)butane
Synonym
1,1-Bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butane
Synonym
4,4′-Butylidenebis[3-methyl-6-tert-butylphenol]
Synonym
1,1-Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl)butane
Synonym
4,4′-Butylidenebis[2-tert-butyl-5-methylphenol]
Synonym
Santowhite Powder
Synonym
4,4′-Butylidenebis[6-tert-butyl-3-methylphenol]
Synonym
1,1-Bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane
Synonym
4,4′-Butylidenebis[2-(1,1-dimethylethyl)-5-methylphenol]
Synonym
m-Cresol, 4,4′-butylidenebis[6-tert-butyl-
Synonym
Phenol, 4,4′-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-
Synonym
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 382.59 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| cas-canonical-smile | OC=1C=C(C(=CC1C(C)(C)C)C(C2=CC(=C(O)C=C2C)C(C)(C)C)CCC)C None | Legacy Database |
| cas-density | 1.03 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=PFANXOISJYKQRP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 209 °C None | Legacy Database |
| cas-name | 4,4′-Butylidenebis(3-methyl-6-tert-butylphenol) None | Legacy Database |
| LogP | 7.241640000000008 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 382.5880000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 382.287180456 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 119.83860000000007 | RDKit |