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539864

Sigma-Aldrich

5-[3,4-(Methylenedioxy)phenyl]-1,3-cyclohexanedione

97%

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About This Item

Empirical Formula (Hill Notation):
C13H12O4
CAS Number:
55579-76-5
Molecular Weight:
232.23
MDL number:
MFCD00111711
UNSPSC Code:
12352100
PubChem Substance ID:
24878270
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

179-181 °C (lit.)

functional group

ketone

SMILES string

O=C1CC(CC(=O)C1)c2ccc3OCOc3c2

InChI

1S/C13H12O4/c14-10-3-9(4-11(15)6-10)8-1-2-12-13(5-8)17-7-16-12/h1-2,5,9H,3-4,6-7H2

InChI key

BNXUYPAIVILSTN-UHFFFAOYSA-N

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
07911TO

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