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2,2'-Methylenebis(6-(2-hydroxy-5-methylbenzyl)-p-cresol)

HCID 11037992
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Basic information

CAS
20837-68-7
Standard SMILES
Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(C)ccc4O)c3O)c2O)c1
InChIKey
KYOZIVFRHLSSKN-UHFFFAOYSA-N
Molecular formula
C31H32O4
Average molar mass
468.6 g/mol
Monoisotopic mass
468.2300595

Names & identifiers

Preferred name
2,2'-Methylenebis(6-(2-hydroxy-5-methylbenzyl)-p-cresol)
IUPAC
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
English name
2,2'-METHYLENEBIS[6-(2-HYDROXY-5-METHYLBENZYL)-P-CRESOL]
Molecular formula
C31H32O4
Molecular weight
468.58

Names & synonyms

2,2'-Methylenebis[6-(2-hydroxy-5-methylbenzyl)-p-cresol]2,2'-Methylenebis(6-(2-hydroxy-5-methylbenzyl)-p-cresol)RefChem:440319677-454-720837-68-76,6'-Methylenebis(2-(2-hydroxy-5-methylbenzyl)-4-methylphenol)2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenolPhenol, 2,2'-methylenebis[6-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-SCHEMBL218957SCHEMBL29623092SCHEMBL30320292DTXSID20452845
Show more names
2,2'-Methylenebis[6-(2-hydroxy-5-methylbenzyl)-p-cresol2,2'-Methylenebis[6-(2-hydroxy-5-methylbenzyl)-4-methylphenol]BIS[2-HYDROXY-3-(2-HYDROXY-5-METHYLBENZYL)-5-METHYLPHENYL]METHANE2,2'-METHYLENEBIS[6-[(2-HYDROXY-5-METHYLPHENYL)METHYL]-4-METHYLPHENOL]6,6'-BIS(2-HYDROXY-5-METHYLBENZYL)-4,4'-DIMETHYL-2,2'-METHYLENEDIPHENOLBis[2-hydroxy-3-(2-hydroxy-5-methylbenzyl)-5-methylphenyl]methane 6,6'-Bis(2-hydroxy-5-methylbenzyl)-4,4'-dimethyl-2,2'-methylenediphenol
KYOZIVFRHLSSKN-UHFFFAOYSA-NC31H32O4AKOS015839115DB-250822CS-04354072,2'-Methylenebis[6-(2-hydroxy-5-methylbenzyl)-p-cresol], 85%2,2'-{Methylenebis[(2-hydroxy-5-methyl-3,1-phenylene)methylene]}bis(4-methylphenol)2-[[2-hydroxy-3-[(2-hydroxy-5-methyl-phenyl)methyl]-5-methyl-phenyl]methyl]-6-[(2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol

Database identifiers

CAS
20837-68-7
PubChem CID
11037992
DTXSID
DTXSID20452845
EC Number
677-454-7
Nikkaji
J372.440I

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
80.9 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
600

Physicochemical properties

Melting point
185 · 185-188 °C
Boiling point
656.4 · 656.4±50.0 °C(Predicted)
Density
1.212 · 1.212±0.06 g/cm3(Predicted)
pka
9.92 · 9.92±0.50(Predicted)
CAS DataBase Reference
20837 · 20837-68-7
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Related reactions

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Compound notes

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