4-(1,3-Benzodioxol-5-yl)butan-2-on

Bezeichnung:4-(1,3-Benzodioxol-5-yl)butan-2-on

Englisch Name:Piperonyl acetone

CBNumberCB0328014

SummenformelC11H12O3

Molgewicht192.21

Synonyma

4-(1,3-Benzodioxol-5-yl)butan-2-on

4-(1,3-Benzodioxol-5-yl)butan-2-on physikalisch-chemischer Eigenschaften

Schmelzpunkt	49-54 °C(lit.)
Siedepunkt	176 °C17 mm Hg(lit.)
Dichte	1.175±0.06 g/cm3(Predicted)
FEMA	2701 \| 4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE
Brechungsindex	1.52-1.522
Flammpunkt	>230 °F
storage temp.	4°C
Löslichkeit	Chloroform (Slightly), DMSO (Slightly)
Aggregatzustand	Solid
Farbe	Colourless crystals.
Geruch (Odor)	at 10.00 % in dipropylene glycol. sweet raspberry heliotrope powdery cotton candy
Geruchsart	floral
JECFA Number	2048
BRN	169843
InChIKey	TZJLGGWGVLADDN-UHFFFAOYSA-N
LogP	1.53
CAS Datenbank	55418-52-5(CAS DataBase Reference)
NIST chemische Informationen	4-(3,4-Methylenedioxyphenyl)-2-butanone(55418-52-5)
EPA chemische Informationen	2-Butanone, 4-(1,3-benzodioxol-5-yl)- (55418-52-5)

Sicherheit

S-Sätze:	22-24/25
WGK Germany	2
TSCA	Yes
HS Code	2914.19.0000
Toxizität	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).

Gefahreninformationscode (GHS)

S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
Beschreibung
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.
Chemische Eigenschaften
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.
synthetische
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
Stoffwechsel
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.