2-Phenylpropionaldehyd-dimethylacetal
2-Phenylpropionaldehyde dimethyl acetal
Grundinformationen
- CAS
90-87-9- Standard-SMILES
COC(OC)C(C)c1ccccc1- InChIKey
UFOUDYPOSJJEDJ-UHFFFAOYSA-N- Summenformel
- C11H16O2
- Durchschnittliche Molmasse
- 180,24 g/mol
- Monoisotopische Masse
- 180,11502975
Überblick
2-Phenylpropionaldehyde dimethyl acetal is a member of benzenes.
Namen und Bezeichner
- Bevorzugter Name
- 2-Phenylpropionaldehyde dimethyl acetal
- IUPAC
- 1,1-dimethoxypropan-2-ylbenzene
- Lokaler Name
- 2-Phenylpropionaldehyd-dimethylacetal
- Englischer Name
- 2-phenylpropionaldehyde dimethyl acetal
- Summenformel
- C11H16O2
- Molmasse
- 180.24
Namen und Synonyme
2-Phenylpropionaldehyde dimethyl acetal90-87-9Hydratropic aldehyde dimethyl acetal(1,1-Dimethoxypropan-2-yl)benzene1,1-Dimethoxy-2-phenylpropaneHydratropaldehyde dimethyl acetalHydrotropic aldehyde dimethyl acetal2-Phenylpropanal dimethyl acetal2-Phenylpropanal dimethylacetalHydrotropaldehyde dimethyl acetalFEMA No. 2888BENZENE, (2,2-DIMETHOXY-1-METHYLETHYL)-
Weitere Namen anzeigen
FEMA 2888FEMA 2888 USP/EP/BP1,1-DIMETHOXY-2-PHENYL PROPANE2-phenylpropanaldimethylacetalhydrotropaldehydedimethylacetal1,1-dimethoxypropan-2-ylbenzeneTIGLIC ALDEHYDE DIMETHYL ACETAL
(2,2-Dimethoxy-1-methylethyl)benzeneHydratropaldehyde, dimethyl acetalDTXSID6047109EINECS 202-022-8NSC 461152-Phenylpropionaldehyde-dimethyl acetalBRN 2091958H41WGL6C12
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 18,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 126
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (2-Phenylpropionaldehyde dimethyl acetal) -> IFRA transparency List
LogP2.579
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.989-0.994
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether; Insoluble in water
Soluble (in ethanol)
Boiling Point
111.00 to 112.00 °C. @ 12.00 mm Hg
240-241 °C
Refractive Index1.492-1.497
Physical DescriptionColourless to slightly yellow liquid; Strong, warm, spicy aroma reminiscent of walnut
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1625 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, (2,2-dimethoxy-1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-phenylpropionaldehyde-dimethyl acetal (EC: 202-022-8)
Benzene, (2,2-dimethoxy-1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- RTECS-Nr.
- MU6480000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzene, (2,2-dimethoxy-1-methylethyl)-: ACTIVE
Anwendungen
VerwendenPrimarily processed for use as a Food and Flavor ingredient. Known for its quality and durability in the industry.
Darstellung
synthetischeBy catalytic hydrogenation of cinnamyl aldehyde dimethyl acetal in the presence of colloidal palladium; or from 2-phenylpropionaldehyde and a methanolic solution of HCl.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter18 Anbieter
Aladdin Scientific[email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…