structure of 3,4-Xylenol, 2,6-diacetyl- (6CI)

3,4-Xylenol, 2,6-diacetyl- (6CI)

CAS No.: 100117-76-8
M. Wt: 206.23800
M. Fa: C12H14O3
InChI Key: FIBZQMXXJLRXFO-UHFFFAOYSA-N
Appearance: White To Yellow Solid

Names and Identifiers of 3,4-Xylenol, 2,6-diacetyl- (6CI)

CAS Number

100117-76-8

IUPAC Name

1-(3-acetyl-2-hydroxy-4,5-dimethylphenyl)ethanone

InChI

InChI=1S/C12H14O3/c1-6-5-10(8(3)13)12(15)11(7(6)2)9(4)14/h5,15H,1-4H3

InChIKey

FIBZQMXXJLRXFO-UHFFFAOYSA-N

Canonical SMILES

CC(=O)C1=CC(C)=C(C)C(C(C)=O)=C1O

Physical and chemical properties of 3,4-Xylenol, 2,6-diacetyl- (6CI)

Exact Mass

206.09400

LogP

2.41420

Molecular Formula

C12H14O3

Molecular Weight

206.23800

PSA

54.37000

Safety Information of 3,4-Xylenol, 2,6-diacetyl- (6CI)

Pictograms

Signal Word

 Warning

Safety Data Sheet
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Physical sample testing spectrum (NMR) of 3,4-Xylenol, 2,6-diacetyl- (6CI)

Physical sample testing spectrum (NMR) of 3,4-Xylenol, 2,6-diacetyl- (6CI)

Retrosynthesis analysis of 3,4-Xylenol, 2,6-diacetyl- (6CI)

  • Route#1

    Cas:4685-47-6
    Cas:100117-76-8