ChemicalBook--->CAS DataBase List--->118-82-1

118-82-1

118-82-1 Structure

118-82-1 Structure
IdentificationMore
[Name]

4,4'-Methylenebis(2,6-di-tert-butylphenol)
[CAS]

118-82-1
[Synonyms]

3,3',5,5'-TETRA-TERT-BUTYL-4,4'-DIHYDROXYDIPHENYLMETHANE
4,4'-DIHYDROXY-3,3',5,5'-TETRA-TERT-BUTYLDIPHENYLMETHANE
4,4'-METHYLENEBIS(2,6-DI-TERT-BUTYLPHENOL)
Antioxidant 702
BIS(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)METHANE
ETHANOX(R) 702 ANTIOXIDANT
GALVINOXYL PRECURSOR
IONOX(R) 220
IONOX(R) 220 AH
RALOX(R) 02 S
RARECHEM AQ BD 0024
TIMTEC-BB SBB007948
2,2’,6,6’-tetra-tert-butyl-4,4’-methylenediphenol
4,4’-methylenebis(2,6-bis(1,1-dimethylethyl)-pheno
4,4’-methylenebis(2,6-bis(1,1-dimethylethyl)phenol)
4,4’-methylenebis(2,6-di-t-butylphenol)
4,4’-methylenebis(2,6-di-tert-butyl-pheno
4,4’-methylenebis[2,6-bis(1,1-dimethylethyl)-pheno
4,4’-methylenebis[2,6-bis(1,1-dimethylethyl)-Phenol
4,4'-Dihydroxy,3,3'-5,5'-tetra-t-butyldiphenylmethane
[EINECS(EC#)]

204-279-1
[Molecular Formula]

C29H44O2
[MDL Number]

MFCD00008822
[Molecular Weight]

424.66
[MOL File]

118-82-1.mol
Chemical PropertiesBack Directory
[Melting point ]

155-159 °C(lit.)
[Boiling point ]

289 °C40 mm Hg(lit.)
[density ]

0.99 g/cm3 (20℃)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.4875 (estimate)
[Fp ]

289°C/40mm
[storage temp. ]

Store below +30°C.
[solubility ]

<0.0001g/l
[form ]

solid
[pka]

12.03±0.40(Predicted)
[color ]

White
[Water Solubility ]

31.9ng/L at 20℃
[BRN ]

1916919
[Stability:]

Stable for 2 years from date of purchase as supplied. Solutions are not stable. Solutions must be made fresh and used within 1 working day.
[InChI]

1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
[InChIKey]

MDWVSAYEQPLWMX-UHFFFAOYSA-N
[SMILES]

CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
[LogP]

8.9 at 25℃
[CAS DataBase Reference]

118-82-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-(118-82-1)
[EPA Substance Registry System]

118-82-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[RTECS ]

SL9650000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29072990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 oral in rat: > 24gm/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,6-Di-tert-butylphenol-->3,5-Di-tert-butyl-4-hydroxybenzyl ether-->3,5-di-tert-butyl-4-hydroxybenzyl acetate-->3,5-Di-tert-butyl-4-hydroxybenzyl alcohol-->4,4'-[2,4,6-Trimethyl-1,3-phenylenebis(methylene)]bis[2,6-di(tert-butyl)phenol]-->Antioxidant 1330-->2,6-Di-tert-butyl-4-(dimethylaminomethyl)phenol-->Mesitylene-->Formaldehyde
[Preparation Products]

3,5-di-tert-butyl-4-hydroxybenzyl acetate-->4,4'-Ethylenebis(2,6-ditert-butylphenol)
Hazard InformationBack Directory
[Description]

bis-BHT (118-82-1) is a potent antioxidant. Cell permeable.
[Chemical Properties]

light yellow crystalline
[Uses]

Antioxidant.
[Application]

4,4'-Methylenebis(2,6-di-tert-butylphenol), also known as H2-4DBP, could be used as a ligand to react with sets of M(OR)x and MRx. The ligand possesses more flexibility than OBzP or catecholate derivatives, and the para-OH makes it of interest for controlled alcoholysis. This compound has several characteristics, including (i) the ortho position possesses the sterically hindering t-butyl group which will assist in minimizing oligomerization, (ii) the para linkage prevents chelation of the 4DBP ligand to the metal upon coordination, and (iii) may act as a valuable model for complexation behavior of the plastic precursor bisphenol-A [BPA; 4,4' -(propane-2,2-diyl)diphenol] that has become of recent concern[2].
[Definition]

ChEBI:4,4'-Methylenebis(2,6-di-tert-butylphenol) is a diarylmethane.
[Flammability and Explosibility]

Nonflammable
[References]

1) Amorati et al. (2003), Antioxidant activity of 0-bisphenols: the role of intramolecular hydrogen bonding; J. Org. Chem. 68 5198
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-Methylenebis(2,6-di-tert-butylphenol)(118-82-1)MS
4,4'-Methylenebis(2,6-di-tert-butylphenol)(118-82-1)1HNMR
4,4'-Methylenebis(2,6-di-tert-butylphenol)(118-82-1)13CNMR
4,4'-Methylenebis(2,6-di-tert-butylphenol)(118-82-1)IR1
4,4'-Methylenebis(2,6-di-tert-butylphenol)(118-82-1)IR2
4,4'-Methylenebis(2,6-di-tert-butylphenol)(118-82-1)ESR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4,4'-Methylenebis(2,6-di-tert-butylphenol), 98%(118-82-1)
[Sigma Aldrich]

118-82-1(sigmaaldrich)
[TCI AMERICA]

4,4'-Methylenebis(2,6-di-tert-butylphenol),>98.0%(GC)(118-82-1)
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