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Merck
CN

W291102

Piperonal

≥99%, FCC, FG

Synonym(s):

1,3-Benzodioxole-5-carboxaldehyde, 3,4-(Methylenedioxy)benzaldehyde, Heliotropin

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About This Item

Empirical Formula (Hill Notation):
C8H6O3
CAS Number:
Molecular Weight:
150.13
FEMA Number:
2911
Council of Europe no.:
104
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
5.016
EC Number:
204-409-7
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
131691
Organoleptic:
cherry; sweet; vanilla
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Level

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002, FCC, FDA 21 CFR 182.60

vapor pressure

1 mmHg ( 87 °C)

assay

≥99%

bp

264 °C (lit.)

mp

35-39 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

heliotropine

organoleptic

cherry; sweet; vanilla

SMILES string

[H]C(=O)c1ccc2OCOc2c1

InChI

1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2

InChI key

SATCULPHIDQDRE-UHFFFAOYSA-N

Application


  • The synthesis and characterisation of MDMA derived from a catalytic oxidation of material isolated from black pepper reveals potential route specific impurities.: This study explores the synthesis and characterization of MDMA from piperonal, highlighting potential impurities unique to this synthesis route. This research has implications for forensic science and the identification of synthetic routes for MDMA (Plummer et al., 2016).

  • Design, synthesis, and biological evaluation of platensimycin analogues with varying degrees of molecular complexity.: This paper details the synthesis of platensimycin analogues using piperonal derivatives. The study evaluates the biological activities of these analogues, contributing to the development of new antibacterial agents (Nicolaou et al., 2008).

  • Synthesis and use of 4-peptidylhydrazido-N-hexyl-1,8-naphthalimides as fluorogenic histochemical substrates for dipeptidyl peptidase IV and tripeptidyl peptidase I.: This research presents the synthesis of piperonal-based substrates for histochemical applications, enabling the study of enzyme activities in biochemical assays (Ivanov et al., 2009).

Biochem/physiol Actions

Taste at 10-50 ppm


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signalword

Warning

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

150.1 °F

flash_point_c

65.62 °C

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

pictograms

Health hazardExclamation mark

Hazard Classifications

Repr. 2 - Skin Sens. 1

Regulatory Information

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Michael S Macias et al.
Forensic science international, 195(1-3), 132-138 (2010-01-02)
Currently, in the field of odor detection, there is generally a wider variation in limit of detections (LODs) for canines than instruments. The study presented in this paper introduces an improved protocol for the creation of controlled odor mimic permeation
W H Redd et al.
Journal of magnetic resonance imaging : JMRI, 4(4), 623-626 (1994-07-01)
Fifty-seven outpatients received either heliotropin (a vanillalike scent) with humidified air (n = 20) or humidified air alone (n = 37) via a nasal cannula during magnetic resonance imaging in the diagnostic workup for cancer. Delivery of heliotropin and air
K C Nicolaou et al.
Journal of the American Chemical Society, 130(39), 13110-13119 (2008-09-06)
The molecular design, chemical synthesis, and biological evaluation of two distinct series of platensimycin analogues with varying degrees of complexity are described. The first series of compounds probes the biological importance of the benzoic acid subunit of the molecule, while



Global Trade Item Number

SKUGTIN
W291102-10KG-K04061835566082
W291102-1KG-K04061835566099
W291102-50KG-K04061835566112
W291102-25KG-K04061835566105
W291102-SAMPLE-K04061837517723