ChemicalBook--->CAS DataBase List--->55418-52-5

55418-52-5

55418-52-5 Structure

55418-52-5 Structure
IdentificationMore
[Name]

Piperonyl acetone
[CAS]

55418-52-5
[Synonyms]

3,4-METHYLENEDIOXYBENZYL ACETONE
4-(1,3-BENZODIOXOL-5-YL)-2-BUTANONE
4-(3,4-METHYLENDIOXYPHENYL)-2-BUTANONE
4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE
4-BENZO[1,3]DIOXOL-5-YL-BUTAN-2-ONE
DULCINYL
FEMA 2701
HELIOTROPYL ACETONE
PIPERONYLACETONE
2-Butanone, 4-(1,3-benzodioxol-5-yl)-
4-(1,3-benzodioxol-5-yl)-2-butanon
4-(1,3-Benzodioxol-5-yl)-2-butanone~3,4-(Methylenedioxy)benzylacetone
4-(1,3-benzodioxol-5-yl)butan-2-one
4-(3,4-methylenedioxyphenyl)-2
2-BUTANONE,4-(3,4-METHYLENEDIOXYPHENYL)-
4-(1,3-Benzodioxol-5-yl)butan-2-on
3 4-METHYLENEDIOXYBENZYL ACETONE 97%
4-[3,4-(Methylenebisoxy)phenyl]butan-2-one
[EINECS(EC#)]

259-630-1
[Molecular Formula]

C11H12O3
[MDL Number]

MFCD00016910
[Molecular Weight]

192.21
[MOL File]

55418-52-5.mol
Chemical PropertiesBack Directory
[Melting point ]

49-54 °C(lit.)
[Boiling point ]

176 °C17 mm Hg(lit.)
[density ]

1.175±0.06 g/cm3(Predicted)
[FEMA ]

2701
[refractive index ]

1.52-1.522
[Fp ]

>230 °F
[storage temp. ]

4°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[color ]

Colourless crystals.
[Odor]

at 10.00 % in dipropylene glycol. sweet raspberry heliotrope powdery cotton candy
[Odor Type]

floral
[JECFA Number]

2048
[BRN ]

169843
[InChIKey]

TZJLGGWGVLADDN-UHFFFAOYSA-N
[LogP]

1.53
[CAS DataBase Reference]

55418-52-5(CAS DataBase Reference)
[NIST Chemistry Reference]

4-(3,4-Methylenedioxyphenyl)-2-butanone(55418-52-5)
[EPA Substance Registry System]

55418-52-5(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[TSCA ]

Yes
[HS Code ]

2914.19.0000
[Toxicity]

The acute oral LD50 value in rats was reported as 4Og/kg and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974).
Hazard InformationBack Directory
[Description]

4-(3,4-Methylenedioxyphenyl)-2-butanone has an intensely sweet, floral, slightly woody odor. May be prepared by condensation of heliotropin with acetone, followed by hydrogenation in the presence of a palladium catalyst.
[Chemical Properties]

4-(3,4-Methylenedioxyphenyl)-2-butanone has an intensely sweet, floral, slightly woody odor reminiscent of raspberry, cotton candy (i.e., candy floss) with a cassie, heliotrope association.
[Occurrence]

Has apparently not been reported to occur in nature.
[Definition]

ChEBI:4-(3,4-Methylenedioxyphenyl)-2-butanone is a member of benzodioxoles.
[Preparation]

By condensation of heliotropin with acetone, followed by hydrogenation in the presence of a palladium catalyst
[Taste threshold values]

Taste characteristics at 40 ppm: sweet, berry-like with spicy, jamy nuances
[Metabolism]

The oxygen-aromatic carbon link of aromatic ethers is generally biologically stable, and possible metabolites include the p-hydroxy derivative of the ether, the phenol or the p-hydroxyphenol (Williams, 1959). Ketones are not readily metabolized in the body. As a derivative of 2-butanone, piperonyl acetone might be expected to be partially reduced to the secondary alcohol and excreted as the glucuronide (Williams, 1959), since Saneyoshi (1911) isolated the glucuronide of 2-butanol from the urine of rabbits receiving methyl ethyl ketone.
[storage]

4°C, away from moisture
Spectrum DetailBack Directory
[Spectrum Detail]

Piperonyl acetone(55418-52-5)MS
Piperonyl acetone(55418-52-5)1HNMR
Piperonyl acetone(55418-52-5)13CNMR
Piperonyl acetone(55418-52-5)IR1
Piperonyl acetone(55418-52-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-(3,4-Methylenedioxy)phenyl-2-butanone, 98%(55418-52-5)
[Sigma Aldrich]

55418-52-5(sigmaaldrich)
[TCI AMERICA]

Piperonylacetone,>98.0%(GC)(55418-52-5)
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