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55418-52-5
???:
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???(??):
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Piperonyl acetone
???(??):
DULCINYL;4-(benzo[d][1,3]dioxol-5-yl)butan-2-one;PIPERONYLACETONE;FEMA 2701;HELIOTROPYL ACETONE;Piperonylacetone>Piperonylacetone(Dulcinyl);Piperonyl acetone USP/EP/BP;4-(3,4-methylenedioxyphenyl)-2;3,4-METHYLENEDIOXYBENZYL ACETONE
CBNumber:
CB0328014
???:
C11H12O3
??? ??:
192.21
MOL ??:
55418-52-5.mol
MSDS ??:
SDS

??????? ??

???
49-54 °C(lit.)
?? ?
176 °C17 mm Hg(lit.)
??
1.175±0.06 g/cm3(Predicted)
FEMA
2701 | 4-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANONE
???
1.52-1.522
???
>230 °F
?? ??
4°C
???
????? (?? ???), DMSO (?? ???)
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??
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????? ??? ? 10.00%. ??? ???? ?????? ?? ???
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JECFA Number
2048
BRN
169843
InChIKey
TZJLGGWGVLADDN-UHFFFAOYSA-N
LogP
1.53
CAS ??????
55418-52-5(CAS DataBase Reference)
NIST
4-(3,4-Methylenedioxyphenyl)-2-butanone(55418-52-5)
EPA
2-Butanone, 4-(1,3-benzodioxol-5-yl)- (55418-52-5)
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  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
????? 22-24/25
WGK ?? 2
TSCA Yes
HS ?? 2914.19.0000
?? 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).
????(GHS): GHS hazard pictograms
?? ?: Warning
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?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
??????:
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P321 (…) ??? ???.
P332+P313 ?? ??? ??? ???? ??· ??? ????.
P362 ??? ??? ?? ?? ?? ?????
NFPA 704
1
0 0

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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.

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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.

??

Has apparently not been reported to occur in nature.

?? ??

By condensation of heliotropin with acetone, followed by hydrogenation in the presence of a palladium catalyst

?? ??

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.

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