4-Phenylbutenon

Bezeichnung:4-Phenylbutenon

CAS-Nr122-57-6

Englisch Name:Benzalacetone

CBNumberCB3119480

SummenformelC10H10O

Molgewicht146.19

MOL-Datei122-57-6.mol

Synonyma

4-Phenylbutenon

4-Phenylbutenon physikalisch-chemischer Eigenschaften

Schmelzpunkt	39-42 °C(lit.)
Siedepunkt	260-262 °C(lit.)
Dichte	1.038
Dampfdruck	0.01 mm Hg ( 25 °C)
FEMA	2881 \| 4-PHENYL-3-BUTEN-2-ONE
Brechungsindex	1.5836
Flammpunkt	150 °F
storage temp.	Store at <= 20°C.
Löslichkeit	Soluble in alcohol, chloroform, diethyl ether.
Aggregatzustand	Low Melting Solid
Farbe	Pale yellow to yellow
Geruch (Odor)	Sweet, but rather pungent odor with a creamy-floral note.
Biologische Quelle	synthetic
Geruchsart	spicy
Wasserlöslichkeit	1.398g/L(25 ºC)
Sensitive	Light Sensitive
Merck	14,1137
JECFA Number	820
BRN	742046
Stabilität	Light Sensitive
InChIKey	BWHOZHOGCMHOBV-BQYQJAHWSA-N
LogP	2.04
CAS Datenbank	122-57-6(CAS DataBase Reference)
NIST chemische Informationen	3-Buten-2-one, 4-phenyl-(122-57-6)
EPA chemische Informationen	Benzylideneacetone (122-57-6)

Sicherheit

Kennzeichnung gefährlicher	Xn,Xi
R-Sätze:	36/37/38-43-42/43
S-Sätze:	7-26-36/37/39-45-37/39-24-36/37-22
WGK Germany	3
RTECS-Nr.	EN0330050
F	8
TSCA	Yes
HS Code	29143900
Toxizität	LD50 orally in Rabbit: 2031 mg/kg

Gefahreninformationscode (GHS)

Benzalacetone Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R43:Sensibilisierung durch Hautkontakt möglich.
R42/43:Sensibilisierung durch Einatmen und Hautkontakt möglich.
S-Sätze Betriebsanweisung:
S7:Behälter dicht geschlossen halten.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S24:Berührung mit der Haut vermeiden.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S22:Staub nicht einatmen.
Chemische Eigenschaften
4-Phenyl-3-buten-2-one has a sweet, floral, creamy, pungent odor reminiscent of coumarin and rhubarb with a sweet, pungent flavor. It is not very stable.
Chemische Eigenschaften
Yellow Solid
Occurrence
Occasionally Benzalacetone is used in perfumery for Sweet Pea (used to be a “must” in this type of fragrance), in Appleblossom, etc., often in combination with Neroli and Hyacinth bases. Also used in flavors, particularly in Chocolate, Cocoa, Cherry, Fruit, Nut, Vanilla, etc. - but usually at very low concentration. Concentration in finished product will rarely exceed 0.2 to 0.5 ppm.
Verwenden
In perfumery, organic syntheses.
Verwenden
Benzylideneacetone is used chiefly as a scent in the manufacture of perfume, drugs & electroplating.
Verwenden
brightener in acid zinc electroplating,also used as an organic synthesis intermediate in flavor and fragrance, pharmaceutical industries
synthetische
By condensing benzaldehyde and acetone in the presence of an alkaline condensing agent.
Definition
ChEBI: Trans-benzylideneacetone is the trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth. It has a role as a flavouring agent, a fragrance, a bacterial metabolite and an EC 3.1.1.4 (phospholipase A2) inhibitor.
Application
Benzalacetone is an endogenous metabolite. It acts as a flavouring agent, a spice, a bacterial metabolite and an inhibitor of EC 3.1.1.4 (phospholipase A2). It is mainly used in food additives, flavours and fragrances, and as an intermediate in chemical synthesis or reaction reagents. In addition, the novel hydrophobic benzazepine acetone can also be used to modify lead dioxide electrodes for electrocatalytic degradation of coal tar wastewater.
Aroma threshold values
Aroma characteristics at 1.0%: sweet, fruity and jamy cherry-like, aldehydic cinnamon spicy, herbal, anisic, balsamic, toasted almond nutty and woody with slight powdery vanilla nuances.
Taste threshold values
Taste characteristics at 5 to 10 ppm: aldehydic, coumarinic and balsamic, slightly nutty, floral and fruity with woody nuances.
Synthesis Reference(s)
The Journal of Organic Chemistry, 58, p. 5595, 1993 DOI: 10.1021/jo00073a011
Tetrahedron Letters, 28, p. 913, 1987 DOI: 10.1016/S0040-4039(00)95872-6
Allgemeine Beschreibung
trans- 4-Phenyl-3-buten-2-one is substrate for glutathione transferase. It reacts with methyl- and benzylguanidine to yield aromatic N²-substituted 2-pyrimidinamines.
Biochem/physiol Actions
Taste at 5-10 ppm
Sicherheitsprofil
Poison by intravenous route. Moderately toxic by intraperitoneal route. A skin irritant. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
läuterung methode
Crystallise it from pet ether (b 40-60o), or distil it (b 137-142o /16mm). [Beilstein 7 IV 1003.]

Benzalacetone Upstream-Materialien And Downstream Produkte

4-Phenylbutenon Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

122-57-6, Benzalacetone Verwandte Suche:

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