Ethyl butylacetylaminopropionate Struktur

Ethyl-N-acetyl-N-butyl-β-alaninat

Bezeichnung:Ethyl-N-acetyl-N-butyl-β-alaninat

CAS-Nr52304-36-6

Englisch Name:Ethyl butylacetylaminopropionate

CBNumberCB2163451

SummenformelC11H21NO3

Molgewicht215.29

MOL-Datei52304-36-6.mol

Synonyma

Ethyl-N-acetyl-N-butyl-β-alaninat

Ethyl-N-acetyl-N-butyl-β-alaninat physikalisch-chemischer Eigenschaften

Schmelzpunkt	<-20°
Siedepunkt	bp0.2 108-110°; bp0.5 126-127°
Dichte	0.987±0.06 g/cm3(Predicted)
Brechungsindex	nD20 1.452-1.455
Flammpunkt	318°F (159°C)
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan
Aggregatzustand	Oil
pka	-0.57±0.70(Predicted)
Farbe	Colourless
InChI	InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
InChIKey	VZRKEAFHFMSHCD-UHFFFAOYSA-N
SMILES	N(C(=O)C)(CCCC)CCC(=O)OCC
LogP	1.650 (est)
CAS Datenbank	52304-36-6(CAS DataBase Reference)
EPA chemische Informationen	N-Acetyl-N-butyl-.beta.-alanine ethyl ester (52304-36-6)

Sicherheit

R-Sätze:	52
HS Code	29241990
Giftige Stoffe Daten	52304-36-6(Hazardous Substances Data)
Toxizität	LD50 in rats (mg/kg): >5000 orally; LC50 in rats (mg/l): >5.1 by inhalation (WHO)

Gefahreninformationscode (GHS)

Bildanzeige (GHS)
Alarmwort

Warnung
Gefahrenhinweise

H302：Gesundheitsschädlich bei Verschlucken.

H315：Verursacht Hautreizungen.

H317：Kann allergische Hautreaktionen verursachen.

H319：Verursacht schwere Augenreizung.
Sicherheit

P261：Einatmen von Staub vermeiden.

P264：Nach Gebrauch gründlich waschen.

P264：Nach Gebrauch gründlich waschen.

P270：Bei Gebrauch nicht essen, trinken oder rauchen.

P272：Kontaminierte Arbeitskleidung nicht außerhalb des Arbeitsplatzes tragen.

P280：Schutzhandschuhe/Schutzkleidung/Augenschutz tragen.

P301+P312：BEI VERSCHLUCKEN: Bei Unwohlsein GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen.

P302+P352：BEI BERÜHRUNG MIT DER HAUT: Mit viel Wasser/... (Hersteller kann, falls zweckmäßig, ein Reinigungsmittel angeben oder, wenn Wasser eindeutig ungeeignet ist, ein alternatives Mittel empfehlen) waschen.

P305+P351+P338：BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach Möglichkeit entfernen. Weiter spülen.

P321：Besondere Behandlung

P330：Mund ausspülen.

P332+P313：Bei Hautreizung: Ärztlichen Rat einholen/ärztliche Hilfe hinzuziehen.

P333+P313：Bei Hautreizung oder -ausschlag: Ärztlichen Rat einholen/ärztliche Hilfe hinzuziehen.

P362：Kontaminierte Kleidung ausziehen und vor erneutem Tragen waschen.

P363：Kontaminierte Kleidung vor erneutem Tragen waschen.

P501：Inhalt/Behälter ... (Entsorgungsvorschriften vom Hersteller anzugeben) zuführen.

Ethyl butylacetylaminopropionate Chemische Eigenschaften,Einsatz,Produktion Methoden

Beschreibung
Ethyl butylacetylaminopropionate (IR3535) is effective against several insects and is considered an alternative repellent to DEET and Icaridin, thanks to its very low toxicity and equal efficacy. Officially considered safe and effective for use in children over 2 months of age and pregnant and breastfeeding women by the World Health Organization, this repellent has been used in Europe for over 30 years, and its use has been increasing worldwide[1].
Physikalische Eigenschaften
Ethyl butylacetylaminopropionate is a natural product found in Averrhoa bilimbi with data available.
History
Ethyl butylacetylaminopropionate is a synthetic molecule derived from a natural amino acid, b-alanine, and its alternative chemical formula name is beta-alanine, n-acetyl-N-butyl-ethyl ester. It is known as IR3535 or EBAAP in the literature. This molecule was developed in the early 1970s using targeted molecular design following functional structure guidelines similar to those reported by Boeckh.1 In his study, repellency of a chemical was correlated with a structural pattern consisting of an amide group linked by a lipophilic chain to an sp3 (i.e., an oxygen atom without a double bond) hybridized oxygen within a group such as hydroxyl or ester. IR3535 repellent (hereafter referred to as IR3535) is currently used in over 150 consumer products world-wide. Despite its commercial history of more than 10 years world-wide and 25 years in European countries, IR3535 has been introduced as a product in the U.S. only recently (1999).
Verwenden
Ethyl Butylacetylaminopropionate is an insect repellent for application to human skin and clothing in public health applications, to repel biting arthropods such as mosquitoes, flies and ticks.
Definition
ChEBI: Ethyl 3-(N-butylacetamido)propionate is a tertiary carboxamide, a member of acetamides and an ethyl ester.
Sicherheit(Safety)
Ethyl butylacetylaminopropionate (IR3535) is a transparent, colourless, odourless liquid mixture proven safe, as demonstrated by acute toxicity, local tolerability, phototoxicity and repeated-dose toxicity assays. Further, IR3535 is non-genotoxic and has thus been considered a safe insect-repellent ingredient by the US Environmental Protection Agency since 1999. Moreover, this compound is classified as a hypoallergenic substance based on skin irritation tests. IR3535 is mainly used as a mosquito/mite repellent sprayed on the body or clothing during outdoor activities. This compound does not have a sticky texture or an offensive odour, which makes it uniquely well-suited for topical use. Further, the effects of IR3535-based insect repellents can last up to 4 h with a single spray. IR3535 is yet to be linked to any toxic effects and is thus considered safe even in cases of exposure via ingestion, inhalation or skin penetration[2].
Einzelnachweise
[1] Renata Colombo, Alanis Tiozzo Souza. “Degradation of ethyl butylacetylaminopropionate (IR3535) during chlorination: Tentative identification and toxicity prediction of its disinfection by-products.” Chemosphere 280 (2021): Article 130656.
[2] Bhanu Shrestha. “Cellular and molecular basis of IR3535 perception in Drosophila.” Pest Management Science 78 2 (2021): 793–802.

Ethyl-N-acetyl-N-butyl-β-alaninat Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

52304-36-6, Ethyl butylacetylaminopropionate Verwandte Suche:

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