Piperonyl acetone Chemical Properties

Melting point:

49-54 °C(lit.)

Boiling point:

176 °C17 mm Hg(lit.)

Density 

1.175±0.06 g/cm3(Predicted)

FEMA 

2701 | 4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE

refractive index 

1.52-1.522

Flash point:

>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

2-Butanone, 4-(1,3-benzodioxol-5-yl)- (55418-52-5)

Safety Information

Safety Statements 

22-24/25

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).

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Piperonyl acetone Usage And Synthesis

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.

Piperonyl acetone(55418-52-5)Related Product Information

• 1,4-Dioxane
• 4-Methyl-2-pentanone
• Calcium pyruvate
• Methyltris(methylethylketoxime)silane
• Methoxyacetone
• 3-Oxobutanenitrile
• Selenium dioxide
• Piperonyl butoxide
• Chlorodimethylphenylsilane
• Acetylacetone
• Piperonyl alcohol
• Phenylacetone
• 1-Deuteriopropan-2-one
• 2-Butanone
• Benzylacetone
• Piperonyl aldehyde
• PIPERONYL METHYL KETONE
• 5-[3,4(METHYLENEDIOXY)PHENYL]-1,3-CYCLOHEXANEDIONE