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Reference substances

Reference substances

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IUPAC name:
a,a,a',a'-tetramethylxylene-a,a-diol

Inventory

EC number:
248-256-4
EC name:
α,α,α',α'-tetramethylxylene-α,α-diol
CAS number:
27138-01-8
CAS number:
27138-01-8
Synonyms
Names:
Identifier:
IUPAC name
Reaction mass of α,α,α',α'-tetramethyl-m-xylene-α,α'-diol and α,α,α',α'-tetramethyl-p-xylene-α,α'-diol
Identifier:
other: SMILES notation
mixture of CC(C)(O)c1ccc(cc1)C(C)(C)O and CC(C)(O)c1cccc(c1)C(C)(C)O

Molecular and structural information

Molecular formula:
C12H18O2
Molecular weight:
ca. 194.27
SMILES notation:
ortho : OC(c1ccccc1C(O)(C)C)(C)C
meta : CC(C)(O)c1cccc(c1)C(C)(C)O
para : CC(C)(O)c1ccc(cc1)C(C)(C)O
InChl:
ortho : InChI=1/C12H18O2/c1-11(2,13)9-7-5-6-8-10(9)12(3,4)14/h5-8,13-14H,1-4H3
meta : InChI=1/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3
para : InChI=1/C12H18O2/c1-11(2,13)9-5-7-10(8-6-9)12(3,4)14/h5-8,13-14H,1-4H3
Structural formula:
Chemical structure

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