α-Methyl-1,3-benzodioxol-5-propionaldehyd

3-(3,4-Methylenedioxyphenyl)-2-methylpropanal

HCID 64805CAS 1205-17-0

Grundinformationen

Standard-SMILES
CC(C=O)Cc1ccc2c(c1)OCO2
InChIKey
BOPPSUHPZARXTH-UHFFFAOYSA-N
Summenformel
C11H12O3
Durchschnittliche Molmasse
192,21 g/mol
Monoisotopische Masse
192,07864424

Überblick

a widely used fragrance ingredient; structure in first source

Namen und Bezeichner

Bevorzugter Name
3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
IUPAC
3-(1,3-benzodioxol-5-yl)-2-methylpropanal
Lokaler Name
α-Methyl-1,3-benzodioxol-5-propionaldehyd
Englischer Name
2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
Summenformel
C11H12O3
Molmasse
192.21

Namen und Synonyme

1205-17-0Helional2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehydeTropionalHeliobouquetHelipropanal3-(3,4-methylenedioxyphenyl)-2-methylpropanalocean propanal1,3-Benzodioxole-5-propanal, .alpha.-methyl-DTXSID7043908UNII-L65EG8H6PA
Weitere Namen anzeigen
FloramelonHelioganα-methyl-1,3-benzodioxole-5-propionaldehydealpha-methyl-1,3-benzodioxole-5-propionaldehydeHelional[IFF]1,3-Benzodioxole-5-propanal, α-methyl-
1,3-Benzodioxole-5-propanal, alpha-methyl-EINECS 214-881-6alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehydeNSC 22282NSC-222823-(3,4-Methylenedioxyphenyl)-2-methyl-propanolalpha-Methyl-1,3-benzodioxole-5-propanal.alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde

Datenbank-Bezeichner

CAS
1205-17-0
PubChem CID
64805
DTXSID
DTXSID7043908
ChEMBL
CHEMBL3183457
UNII
L65EG8H6PA
EC Number
214-881-6
Nikkaji
J217.049C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Fragrances · 2 Einträge

Fragrance substance (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)) -> IFRA amendment 49

Fragrance Ingredient (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.158-1.169
Solubility · 2 Einträge

Insoluble

soluble (in ethanol)

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point134-135 °C

Physikochemische Eigenschaften

Siedepunkt
282 °C · 282 °C(lit.)
Dichte
1.162 g/mL · 1.162 g/mL at 25 °C(lit.)
Dampfdruck
0.092 Pa · 0.092Pa at 23℃
Brechungsindex
20 · n20/D 1.5335(lit.)
FEMA
4599 · 4599 | 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

H317 (42.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1,3-Benzodioxole-5-propanal, .alpha.-methyl-

1,3-Benzodioxole-5-propanal, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzodioxole-5-propanal, .alpha.-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20444

Helional: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3 Einträge

Skin Sens. 1 (42.3%)

Skin sensitization - Category 1B

Skin Sens. 1B

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29124990
RTECS-Nr.
DF4922185
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards · 6 Einträge

alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)

1,3-Benzodioxole-5-propanal, α-methyl-; 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal; 2-Methyl-3-(3,4-methylenedioxyphenyl)- propionaldehyde; 2-Methyl-3-(3,4-methylenedioxyphenyl)propanal; α-Methyl-3,4-(methylenedioxy)-hydrocinnamaldehyde; α-Methyl-1,3-benzodioxole-5-propanal; α-Methyl-1,3-benzodioxole-5-propionaldehyde; 3-(3,4-Methylenedioxyphenyl)-2-methylpropanal; α-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde; Heliofolal (commercial name); Heliogan (commercial name); Helional (commercial name); Tropional (commercial name)

IFRA_STD_059.pdf

49

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Household ProductsInformation on 81 consumer products that contain Methylenedioxyphenyl Methylpropanal in the following categories is provided:
Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anwendungen

Verwenden2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal is an aromatic aldehyde that was used in the investigation of human olfactory receptor 17-40 as an active part of a nanobiosensor.

Anbieter50 Anbieter

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