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Grundinformationen
- CAS
103-95-7- Standard-SMILES
CC(C=O)Cc1ccc(C(C)C)cc1- InChIKey
ZFNVDHOSLNRHNN-UHFFFAOYSA-N- Summenformel
- C13H18O
- Durchschnittliche Molmasse
- 190,286 g/mol
- Monoisotopische Masse
- 190,1357652
Namen und Bezeichner
- Bevorzugter Name
- Cyclamen aldehyde
- IUPAC
- 2-Methyl-3-[4-(propan-2-yl)phenyl]propanal
- Lokaler Name
- 3-p-Cumenyl-2-methylpropionaldehyd
- Englischer Name
- cyclamen aldehyde
- Summenformel
- C13H18O
- Molmasse
- 190.28
Namen und Synonyme
3-(4-Isopropylphenyl)-2-methylpropanal3-(4-ISOPROPYLPHENYL)-2-METHYLPROPIONALDEHYDECyclamal2-METHYL-3-(P-ISOPROPYLPHENYL)PROPIONALDEHYDEFEMA 27433-p-cumenyl-2-methylpropionaldehyde3-(4-ISOPROPYLPHENYL)ISOBUTYRALDEHYDE(R,S)-p-Isopropyl-α-methylhydro-cinnamaldehyde3-p-aldehydeb
Datenbank-Bezeichner
- CAS
103-95-7- PubChem CID
- 517827
- DTXSID
DTXSID2044769- ChEMBL
CHEMBL3183483- ChEBI
CHEBI:188336- UNII
- 4U37UX0E1E
- EC Number
- 203-161-7
- Nikkaji
- J4.429F
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 270 °C · 270 °C(lit.)
- Dichte
- 0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.3 Pa · 0.3Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.505(lit.)
- FEMA
- 2743 · 2743 | 2-METHYL-3-(P-ISOPROPYLPHENYL)PROPIONALDEHYDE
- Flammpunkt
- 228 °F · 228 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless liquid.
- Geruch (Odor)
- Powerful floral-green with a characteristic cucumber-melon note used in floral types.
- Geruchsart
- floral
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- 66 mg/L · 66mg/L at 20℃
- JECFA Number
- 1465 · 1465
- Henry's Law Constant
- 2.3 · 2.3×10-1 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
- Stabilität
- Hygroscopic
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCE
- InChI
- 1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
- InChIKey
- ZFNVDHOSLNRHNN-UHFFFAOYSA-N
- SMILES
- CC(C)c1ccc(CC(C)C=O)cc1
- LogP
- 3.4 at · 3.4 at 35℃
- CAS Datenbank
- 103 · 103-95-7(CAS DataBase Reference)
- EPA chemische Informationen
- -4 · Benzenepropanal, .alpha.-methyl-4-(1-methylethyl)- (103-95-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29122990
- RTECS-Nr.
- MW4900000
- risk_code
- 38
- Toxizität
- The acute oral LD50 value in rats was reported as 3*81 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964).
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1B
Chemie und Industrie
Anwendungen
Beschreibung2-Methyl-3-(p-isopropylphenyl) propionaldehyde has a strong, flowery odor. May be prepared by condensation of cuminic aldehyde and propionaldehyde followed by hydrogenation in the presence of a catalyst.
OccurrenceReported found in nutmeg and starfruit.
VerwendenCyclamen Aldehyde is a very powerful, floral, green note used in many perfumery applications to blend into fresh, floral, green or ozonic/marine accords. It is an ingredient with growing use and importance in helping to build replacement accords for materials disappearing from the Perfumers’ palette. Cyclamen has good overall stability except in extremes of pH. It has good tenacity and substantivity and represents very good value for money in new creations.In addition to its use in numerous perfume compositions, cyclamen aldehyde is an intermediate for the preparation of fungicides and fungistatic substances.
Darstellung
synthetischeBy condensation of cuminic aldehyde and propionaldehyde followed by hydrogenation in the presence of a catalyst
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