3-(p-Cumenyl)-2-methylpropionaldehyd
3-(p-Cumenyl)-2-methylpropionaldehyde
Grundinformationen
- CAS
6658-48-6- Standard-SMILES
CC(C)Cc1ccc(CC(C)C=O)cc1- InChIKey
YLIXVKUWWOQREC-UHFFFAOYSA-N- Summenformel
- C14H20O
- Durchschnittliche Molmasse
- 204,31 g/mol
- Monoisotopische Masse
- 204,15141526
Namen und Bezeichner
- Bevorzugter Name
- 3-(p-Cumenyl)-2-methylpropionaldehyde
- IUPAC
- 2-methyl-3-[4-(2-methylpropyl)phenyl]propanal
- Lokaler Name
- 3-(p-Cumenyl)-2-methylpropionaldehyd
- Englischer Name
- p-Isobutyl-alpha-methylhydrocinnamaldehyde
- Summenformel
- C14H20O
- Molmasse
- 204.31
Namen und Synonyme
6658-48-63-(p-Cumenyl)-2-methylpropionaldehydeEINECS 229-695-0Benzenepropanal, alpha-methyl-4-(2-methylpropyl)-DTXSID4052346Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-RefChem:495789DTXCID4030918229-695-03-(4-isobutylphenyl)-2-methylpropanal2-methyl-3-[4-(2-methylpropyl)phenyl]propanalcyclamen homoaldehyde
Weitere Namen anzeigen
RhodialSilvial 00125433-(p-Cumenyl)-2-methylpropionaldehydP-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYD4-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYDEα-Methyl-4-(2-methylpropyl)benzenepropanalp-Isobutyl-alpha-methylhydrocinnamaldehydeBenzenepropanal, a-methyl-4-(2-methylpropyl)-
Z3NXK8Y7EXalpha-methyl-4-(2-methylpropyl)benzenepropanalSCHEMBL225582NS00012149alpha-methyl-3-(4-isobutyl-phenyl)-propionaldehyde
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 178
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (p-Isobutyl-alpha-methyl hydrocinnamaldehyde) -> IFRA transparency List
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 119 °C · 119 °C(Press: 1 Torr)
- Dichte
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- Dampfdruck
- 0.172 Pa · 0.172Pa at 20℃
- Geruch (Odor)
- 100 % · at 100.00 %. floral muguet lily green tropical oily greasy marine balsamic
- Geruchsart
- floral
- Wasserlöslichkeit
- 2.76 mg/L · 2.76mg/L at 25℃
- Henry's Law Constant
- 2.9 · 2.9×10-1 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 3.8 at · 3.8 at 35℃
- EPA chemische Informationen
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1512 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-
Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)- 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: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/25209
3-(p-cumenyl)-2-methylpropionaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Phenyl propanaldehydes
Hazard Classes and CategoriesSkin Sens. 1 (> 99.9%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 203,742 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
p-Isobutyl-alpha-methyl hydrocinnamaldehyde
p-Isobutyl-α-methyl hydro cinnamic aldehyde; Benzenepropanal, α-methyl-4-(2-methylpropyl)-; 3-(4-Isobutyl-phenyl)-2-methyl-propionaldehyde; 2-Methyl-3-[4-(2-methylpropyl)phenyl]propanal; 3-(p-Cumenyl)-2-methylpropionaldehyde; Cyclamen homoaldehyde; Rhodial (commercial name); Silvial (commercial name); Suzaral (commercial name)
IFRA_STD_045.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 2 consumer products that contain 3-(P-Cumenyl)-2-Methylpropionaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenepropanal, .alpha.-methyl-4-(2-methylpropyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.08 [Products applied to the lips]
0.053 [Products applied to the axillae]
0.8 [Products applied to the face/body using fingertips]
0.99 [Products related to fine fragrances]
0.25 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.25 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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