Piperonyl acetone
- CAS NO.:55418-52-5
- Empirical Formula: C11H12O3
- Molecular Weight: 192.21
- MDL number: MFCD00016910
- EINECS: 259-630-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-06 19:41:26
What is Piperonyl acetone?
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.
Preparation
By condensation of heliotropin with acetone, followed by hydrogenation in the presence of a palladium catalyst
Definition
ChEBI: 4-(3,4-Methylenedioxyphenyl)-2-butanone is a member of benzodioxoles.
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.
Properties of Piperonyl acetone
Melting point: | 49-54 °C(lit.) |
Boiling point: | 176 °C17 mm Hg(lit.) |
Density | 1.175±0.06 g/cm3(Predicted) |
refractive index | 1.52-1.522 |
FEMA | 2701 | 4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE |
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 |
JECFA Number | 2048 |
BRN | 169843 |
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 for Piperonyl acetone
Computed Descriptors for Piperonyl acetone
InChIKey | TZJLGGWGVLADDN-UHFFFAOYSA-N |
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