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1755-15-3

1755-15-3 Structure

1755-15-3 Structure
IdentificationBack Directory
[Name]

2-ACETYLDIMEDONE
[CAS]

1755-15-3
[Synonyms]

DDE
DDE-OH
2-ACETYLDIMEDONE
2-Acetyldimedone, Dde
2-Acetyl-5,5-dimethyl-1,3-cyclohexadion
2-ACETYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
2-ACETYL-5,5-DIMETHYL-CYCLOHEXAN-1,3-DIONE
2-ACETYL-5,5-DIMETHYL-CYCLOHEXANE-1,3-DIONE
1,3-Cyclohexanedione, 2-acetyl-5,5-dimethyl-
2-Acetyl-5,5-dimethyl-1,3-cyclohexanedione >
DIMETHYL-2,6-DIOXOCYCLOHEXYLIDENE ETHYL ALCOHOL
[Molecular Formula]

C10H14O3
[MDL Number]

MFCD00467663
[MOL File]

1755-15-3.mol
[Molecular Weight]

182.22
Chemical PropertiesBack Directory
[Melting point ]

36 °C
[Boiling point ]

132-133 °C
[density ]

1.077±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to lump to clear liquid
[pka]

3.56±0.42(Predicted)
[color ]

White or Colorless to Yellow
[BRN ]

2089698
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h9H,4-5H2,1-3H3
[InChIKey]

ITSKWKZDPHAQNK-UHFFFAOYSA-N
[SMILES]

C1(=O)CC(C)(C)CC(=O)C1C(C)=O
[CAS DataBase Reference]

1755-15-3
Hazard InformationBack Directory
[Uses]

Reagent for the introduction of Dde group.
[Application]

2-Acetyldimedone is used in: Protects group reagent for primary amines; cleavage occurs orthogonally to other amine protections.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2914290090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

Principal metabolite of DDT in humans and other animals. Principal long-term storage form derived from DDT in humans and other animals. Biological half-life of several years. DDE is probably related to the chronic toxic effects of DDT such as eggshell thinning. It has been suggested recently that DDT, its metabolites, and other persistent organochlorines are possibly involved in cancer causation, particularly human breast cancer.
Spectrum DetailBack Directory
[Spectrum Detail]

2-ACETYLDIMEDONE(1755-15-3)1HNMR
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