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Reference substances

Reference substances

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General information

Inventory

EC number:
204-884-0
EC name:
2,6-di-tert-butylphenol
CAS number:
128-39-2

No inventory information available

Reference substance information

IUPAC name:
2,6-di-tert-butylphenol
Synonyms
Names:
Phenol, 2,6-bis(1,1-dimethylethyl)-
Identifier:
CAS number
128-39-2
Identifier:
IUPAC name
2,6-di-tert-butylphenol
Identifier:
other: InChl
1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
Identifier:
other: SMILES notation
CC(C)(C)c1ccc(O)c(c1)C(C)(C)C
Identifier:
other: InChl
InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
Identifier:
other: SMILES notation
c1(c(c(C(C)(C)C)ccc1)O)C(C)(C)C
2,6-bis(1,1-dimethylethyl)-phenol

CAS information

CAS number:
128-39-2

Molecular and structural information

Molecular formula:
C14H22O
Molecular weight:
206.324
SMILES notation:
CC(C)(C)c1cccc(c1O)C(C)(C)C
InChl:
InChI=1/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
Structural formula:
Chemical structure