Registration Dossier

Reference substances

Reference substances

Currently viewing:

General information

Inventory

EC number:
267-342-2
EC name:
Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate
CAS number:
67845-93-6

No inventory information available

Reference substance information

IUPAC name:
hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate
Synonyms
Names:
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hexadecyl ester
Identifier:
CAS number
67845-93-6
Identifier:
EC number
267-342-2
Identifier:
IUPAC name
Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate
Identifier:
IUPAC name
hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate
Identifier:
IUPAC name
hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate
Identifier:
other: SMILES notation
O=C(OCCCCCCCCCCCCCCCC)c(cc(c(O)c1C(C)(C)C)C(C)(C)C)c1
Identifier:
other: Molecular formula
C31H54O3
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCOC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Identifier:
other: InChl
InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3
3,5-Di-(t-Butyl)-4-hydroxy benzoic acid, hexadecyl ester

CAS information

CAS number:
67845-93-6

Molecular and structural information

Molecular formula:
C31H5403
Molecular weight:
474.82
SMILES notation:
O=C(OCCCCCCCCCCCCCCCC)c(cc(c(O)c1C(C)(C)C)C(C)(C)C)c1
InChl:
InChI=1/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3
Structural formula:
Chemical structure