2-(4-tert-Butylbenzyl)propionaldehyd

Bezeichnung:2-(4-tert-Butylbenzyl)propionaldehyd

CAS-Nr80-54-6

Englisch Name:Lily aldehyde

CBNumberCB2492379

SummenformelC14H20O

Molgewicht204.31

MOL-Datei80-54-6.mol

Synonyma

2-(4-tert-Butylbenzyl)propionaldehyd

2-(4-tert-Butylbenzyl)propionaldehyd physikalisch-chemischer Eigenschaften

Schmelzpunkt	106-109 °C
Siedepunkt	150°C 10mm
Dichte	0.946 g/mL at 20 °C(lit.)
Dampfdruck	0.25Pa at 20℃
Brechungsindex	n20/D 1.505
Flammpunkt	100°C
storage temp.	2-8°C
Löslichkeit	Chloroform (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand	Liquid
Farbe	Colorless to Light yellow
Geruch (Odor)	at 100.00 %. floral muguet watery green powdery cumin
Geruchsart	floral
Wasserlöslichkeit	33mg/L at 20℃
BRN	880140
InChIKey	SDQFDHOLCGWZPU-UHFFFAOYSA-N
LogP	4.2 at 24℃
CAS Datenbank	80-54-6(CAS DataBase Reference)
NIST chemische Informationen	Lilial(80-54-6)
EPA chemische Informationen	Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl- (80-54-6)

Sicherheit

Kennzeichnung gefährlicher	Xn,N
R-Sätze:	22-38-51/53-62-43
S-Sätze:	60-61-36/37
RIDADR	UN 3082 9/PG 3
WGK Germany	2
RTECS-Nr.	MW4895000
F	10
HS Code	29121900

Gefahreninformationscode (GHS)

Lily aldehyde Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R38:Reizt die Haut.
R51/53:Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen haben.
S-Sätze Betriebsanweisung:
S60:Dieses Produkt und sein Behälter sind als gefährlicher Abfall zu entsorgen.
Chemische Eigenschaften
Lily aldehyde is a homolog of cyclamenaldehyde. The racemic compound is a colorless to slightly yellow liquid with a mild-floral odor, reminiscent of cyclamen and lily of the valley.
The aldehyde is prepared by the same routes as cyclamenaldehyde.
Other routes start from ??-methylcinnamaldehyde. ??-Methylcinnamaldehyde (from benzaldehyde and propionaldehyde) is hydrogenated to ??-methyldihydrocinnamic alcohol.The alcohol is alkylated with tert-butyl chloride or isobutene to 4-tert-butyl-??-methyldihydrocinnamic alcohol, which is subsequently dehydrogenated to the desired aldehyde.
4-tert-Butyl-??-methyldihydrocinnamaldehyde is more stable than cyclamenaldehyde and is a popular component of flower compositions, particularly lily of the valley and linden types, because of its mild, pleasant, blossomfragrance. It is used in a wide range of perfume types, but especially in soap and detergent perfumes.
Verwenden
2-(4-tert-Butylbenzyl)propionaldehyde may be used as a reference standard for the determination of 2-(4-tert-butylbenzyl)propionaldehyde in:
- Human urine samples by ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) equipped with electrospray ionization (ESI) source and multiple reaction monitoring (MRM) mode of detection.
- Deodorants and air fresheners by sonication extraction coupled with gas chromatography-mass spectrometry (GC-MS).
- Scented consumer products by GC-MS as well as GC in combination with olfactometry.
Verwenden
In addition to its applications in the perfume and aroma industry, lilial is used mainly for the synthesis of substituted 3-(4-tert-butylphenyl)-2-methylpropylamines, a new class of substances with fungicidal properties. These compounds are effective against mildew in barley and wheat.
Vorbereitung Methode
Lily aldehyde is produced industrially almost solely by aldol condensation of 4-tert-butylbenzaldehyde and propionaldehyde to give 4-tert-butyl-α-methylcinnamaldehyde, which can be hydrogenated selectively on noble metal catalysts such as Pd, Rh, Pd – Pr2O3 on Al2O3, or on modified cobalt catalysts. The aldol condensation and the hydrogenation can be carried out in one step in the presence of a hydrogenation catalyst.
The Friedel – Crafts reaction of 4-tertbutylbenzene with methacrolein or methacrolein diacetate proceeds in an analogous manner to the preparation of cyclamenaldehyde.
Further possibilities are the Rh-catalyzed hydroformylation of 1-(4-tert-butylphenyl)-1- methoxypropene and subsequent partial hydrogenation, the palladium salt catalyzed reaction of 4-tert-butylphenylhalide with methallylalcohol, and the dehydrogenation of 3-(4-tert-butylphenyl)-2-methylpropanol on silver catalysts.
Allgemeine Beschreibung
2-(4-tert-Butylbenzyl)propionaldehyde is categorized under the synthetic fragrance class of compounds widely utilized in consumer products such as perfumes, after shave lotions, cosmetics, etc.
Flammability and Explosibility
Non flammable
Handelsname
Lilestralis Pure (Innospec), Lysmeral® Extra (BASF).
Kontakt-Allergie
Lilial? is a synthetic compound listed as a fragrance allergen. Its presence is indicated on cosmetics within the EU.

Lily aldehyde Upstream-Materialien And Downstream Produkte

2-(4-tert-Butylbenzyl)propionaldehyd Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

80-54-6, Lily aldehyde Verwandte Suche:

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