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2,6-Dimethylphenol

CAT: 0572-TRC-D465855-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D465855-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
576-26-1
Synonyms
Mexiletine Hydrochloride Imp. A (EP); Mexiletine Imp. A (EP); 2,6-Dimethylphenol; Mexiletine Hydrochloride Impurity A; Mexiletine Impurity A
Hazard Statement
Toxic if swallowed; UN number: UN2261; Packing Group: II
Purity
>95% (GC)
Smiles
Cc1cccc(C)c1O
Molecular Formula
C8 H10 O
Molecular Weight
122.16
InChI
InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
Additionnal Information
IUPAC name: 2,6-dimethylphenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,6-Dimethylphenol

2,6-Dimethylphenol is a hydroxytoluene.

CAS Number576-26-1
PubChem CID11335
IUPAC Name2,6-dimethylphenol
Molecular FormulaC8H10O
Molecular Weight122.16
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CC1=C(C(=CC=C1)C)O
InChI
InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKey
NXXYKOUNUYWIHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dimethylphenol
CAS: 576-26-1
CID: 11335
Formula: C8H10O
MW: 122.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.16
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass122.073164938
Monoisotopic Mass122.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
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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JH2186404-Fluoro-2,6-dimethylphenol
sc-256081A2-Bromo-4,6-dimethylphenol
OR10987133-Methoxy-2,6-dimethylphenol
OR10952286-Bromo-2,3-dimethylphenol
KAA57069-014-Ethyl-2,6-dimethylphenol
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