Phenol, 4-butyl-2,6-bis(1,1-dimethylethyl)-

HCID 79658CAS 5530-30-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey
WTWGHNZAQVTLSQ-UHFFFAOYSA-N
Molecular formula
C18H30O
Average molar mass
262.4 g/mol
Monoisotopic mass
262.22966558

Names & identifiers

Preferred name
Phenol, 4-butyl-2,6-bis(1,1-dimethylethyl)-
IUPAC
4-butyl-2,6-ditert-butylphenol
English name
4-butyl-2,6-di-tert-butylphenol
Molecular formula
C18H30O
Molecular weight
262.4302

Names & synonyms

5530-30-3Phenol, 4-butyl-2,6-bis(1,1-dimethylethyl)-2,6-Di-tert-butyl-4-butylphenolEINECS 226-878-7DTXSID5063944RefChem:172816DTXCID80418704-Butyl-2,6-di-tert-butylphenolRM8BST2DKGSCHEMBL39321SCHEMBL5610217SCHEMBL5610220
Show more names
SCHEMBL91847064-butyl-2,6-di-t-butylphenol2,6-di-tert-butyl-4-n-butylphenol4-Butyl-2,6-bis(1,1-dimethylethyl)phenolNS00033286Q65653491

Database identifiers

CAS
5530-30-3
PubChem CID
79658
DTXSID
DTXSID5063944
UNII
RM8BST2DKG
EC Number
226-878-7
Nikkaji
J210.574H

Properties

Computed structural properties

XLogP
6.8
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
19

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
35.6 · 35.6-36.5 °C
Boiling point
144 · 144.0-144.5 °C(Press: 6 Torr)
Density
0.92 g/cm3 · 0.920 g/cm3
pka
12.57 · 12.57±0.40(Predicted)
FDA UNII
8 BST2DKG · RM8BST2DKG
EPA Substance Registry System
4 · Phenol, 4-butyl-2,6-bis(1,1-dimethylethyl)- (5530-30-3)

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 4-butyl-2,6-bis(1,1-dimethylethyl)-: ACTIVE

Suppliers1 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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