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Structure

2,6-DI-tert-butyl-4-methoxyphenol

CAS
489-01-0
Catalog Number
ACM489010-1
Category
Other Products
Molecular Weight
236.35
Molecular Formula
C15H24O2

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Specification

Synonyms
3,5-Di-tert-butyl-4-hydroxyanisole
IUPAC Name
2,6-Ditert-butyl-4-methoxyphenol
Canonical SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OC
InChI
InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
InChI Key
SLUKQUGVTITNSY-UHFFFAOYSA-N
Boiling Point
135-140 °C
Melting Point
102-106 °C
Flash Point
135-140 °C
Density
0.9845 g/mL
Appearance
White to beige crystalline powder
Complexity
223
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
207-693-0
Exact Mass
236.177630004
Formal Charge
0
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
236.177630004
Physical State
Liquid
Rotatable Bond Count
3
Safety Description
26-36
Topological Polar Surface Area
29.5 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
WGK Germany
3
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