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Molecule
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
Identifiers
CAS Registry Number
85-60-9
SMILES
CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C
InChI Key
PFANXOISJYKQRP-UHFFFAOYSA-N
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
Names and Synonyms
- 4,4′-Butylidenebis(3-Methyl-6-Tert-Butylphenol) Systematic Name
- Phenol, 4,4′-butylidenebis[2-(1,1-dimethylethyl)-5-methyl- Synonym
- m-Cresol, 4,4′-butylidenebis[6-tert-butyl- Synonym
- 4,4′-Butylidenebis[2-(1,1-dimethylethyl)-5-methylphenol] Synonym
- 1,1-Bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane Synonym
- 4,4′-Butylidenebis[6-tert-butyl-3-methylphenol] Synonym
- Santowhite Powder Synonym
- 4,4′-Butylidenebis[2-tert-butyl-5-methylphenol] Synonym
- 1,1-Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl)butane Synonym
- 4,4′-Butylidenebis[3-methyl-6-tert-butylphenol] Synonym
- 1,1-Bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butane Synonym
- 1,1-Bis(4-hydroxy-3-tert-butyl-6-methylphenyl)butane Synonym
- 4,4′-Butylidenebis[6-tert-butyl-m-cresol] Synonym
- Anullex PBA 15 Synonym
- SWP (antioxidant) Synonym
- 1,1-Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)butane Synonym
- Sumilizer BBM Synonym
- SWP Synonym
- BBM Synonym
- Santowhite Synonym
- Noclizer NS 30 Synonym
- Yoshinox BB Synonym
- Antage W 300 Synonym
- Sumilizer BBM-S Synonym
- Annulex PBA 15 Synonym
- Nonflex BB Synonym
- Vanox SWP Synonym
- 1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane Synonym
- Santowhite AW 300 Synonym
- ADK Stab AO 40 Synonym
- BBM-S Synonym
- Nocrac NS 30 Synonym
- Selosol G 969 Synonym
- Mark AO 40 Synonym
- Lowinox 44B25 Synonym
- DH 26 Synonym
- NSC 67485 Synonym
- Antioxidant BBM Synonym
- 4,4′-Butylidenebis(3-methyl-6-t-butylphenol) Synonym
- 4,4′-Butylidenebis(3-methyl-6-tert-butylphenol) Synonym
- 4,4′-Butylidenebis(6-tert-butyl-3-methylphenol) Synonym
- NS 30 Synonym
- W 300 Synonym
- Antioxidant W 300 Synonym
- Songnox 4425 Synonym
- ADK-AO 40 Synonym
- 4,4′-Butylidene-bis-(2-tert-butyl-5-methyl-phenol) Synonym
- 2-tert-Butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol Synonym
- TS 376 Synonym
- AO 40 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 382.59 g/mol | CAS Common Chemistry |
| 382.5880000000002 g/mol | RDKit | |
| 382.588 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.03 g/cm3 @ 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 |
| 7.2416 | RDKit | |
| 7.18 | chempirical lib | |
| Molar Refractivity | 119.83860000000007 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 382.287180456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 382.59 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
