4-Tert-Butylcatechol

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Catalog Number
ACM98293-1
Product Name
4-Tert-Butylcatechol
Structure
Structure
CAS
98-29-3
Category
Heterocyclic Organic Compound
Synonyms
Tbc
IUPAC Name
4-Tert-butylbenzene-1,2-diol
Molecular Weight
166.22
Molecular Formula
C10H14O2
Canonical SMILES
CC(C)(C)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
InChI Key
XESZUVZBAMCAEJ-UHFFFAOYSA-N
Boiling Point
285 °C (lit.)
Melting Point
52-55 °C
Flash Point
>230 °F
Density
1.049
Appearance
White Solid Turning Light Brown PURITY
Complexity
148
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
202-653-9
Exact Mass
166.099379685
Formal Charge
0
Hazard Statements
C:Corrosive;
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
166.099379685
Packing Group
III
Physical State
Light red liquid
Refractive Index
1.55
Rotatable Bond Count
1
Safety Description
S24-S26-S36/37/39-S45
Stability
Stable under normal temperatures and pressures.
Topological Polar Surface Area
40.5 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
WGK Germany
2
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