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4-tert-Butylcatechol

CAT: 0572-TRC-B810793-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B810793-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98-29-3
Hazard Statement
May be harmful if swallowed; UN number: UN2923; Packing Group: III
Smiles
CC(C)(C)c1ccc(O)c(O)c1
Molecular Formula
C10 H14 O2
Molecular Weight
166.22
InChI
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
Additionnal Information
IUPAC name: 4-tert-butylbenzene-1,2-diol
Shipping Conditions
Room Temperature

Chemical Information

4-tert-Butylcatechol
CAS Number98-29-3
PubChem CID7381
IUPAC Name4-tert-butylbenzene-1,2-diol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP2.7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity148
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
InChIKey
XESZUVZBAMCAEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-tert-Butylcatechol
CAS: 98-29-3
CID: 7381
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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abx184622-014-tert-Butylcatechol
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FP70646-014-Phenoxystyrene, stabilised with 0.1% p-tert-butylcatechol
FD69936-012,6-Dichlorostyrene, stabilised with 0.1% 4-tert-butylcatechol
C19260-013-Chlorostyrene 99% inhibited with 3,5-Di-tert-butylcatechol
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