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Reference substances

Reference substances

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General information

Inventory

EC number:
246-563-8
EC name:
tert-butyl-4-methoxyphenol
CAS number:
25013-16-5

No inventory information available

Reference substance information

IUPAC name:
(1,1-Dimethylethyl)-4-methoxyphenol
Synonyms
Names:
Phenol, (1,1-dimethylethyl)-4-methoxy-
Identifier:
CAS number
25013-16-5
Identifier:
IUPAC name
2-tert-butyl-4-methoxyphenol
Identifier:
IUPAC name
3-tert-butyl-4-methoxyphenol
Identifier:
IUPAC name
Reaction mass of 3-tert-butyl-4-methoxyphenol and 2-tert-butyl-4-methoxyphenol
Identifier:
IUPAC name
tert-butyl-4-methoxyphenol
Identifier:
other: InChl
1S/C7H8O2.C5H12/c1-9-7-4-2-6(8)3-5-7;1-5(2,3)4/h2-5,8H,1H3;1-4H3
Identifier:
other: SMILES notation
C(C)(*)(C)C.c1(ccc(O)cc1)OC
Identifier:
other: SMILES notation
COc1ccc(O)c(c1)C(C)(C)C
Identifier:
other: InChl
InChI=1/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3

CAS information

CAS number:
25013-16-5

Molecular and structural information

Molecular formula:
C11H16O2
Molecular weight:
181.253
SMILES notation:
[*]C(C)(C)C.COc1ccc(O)cc1
InChl:
1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
Structural formula:
Chemical structure