4-Methylvaleriansure

Bezeichnung:4-Methylvaleriansure

CAS-Nr646-07-1

Englisch Name:4-Methylvaleric acid

CBNumberCB1483316

SummenformelC6H12O2

Molgewicht116.16

MOL-Datei646-07-1.mol

Synonyma

4-Methylvaleriansure

4-Methylvaleriansure physikalisch-chemischer Eigenschaften

Schmelzpunkt	-35 °C
Siedepunkt	199-201 °C (lit.)
Dichte	0.923 g/mL at 25 °C (lit.)
FEMA	3463 \| 4-METHYLPENTANOIC ACID
Brechungsindex	n20/D 1.414(lit.)
Flammpunkt	207 °F
storage temp.	Store below +30°C.
Löslichkeit	Chloroform (Sparingly), Methanol (Slightly)
pka	4.84(at 18℃)
Aggregatzustand	Liquid
Wichte	0.923
Farbe	Clear colorless to slightly yellow
Geruch (Odor)	at 1.00 % in propylene glycol. pungent cheese
Geruchsart	cheesy
Odor Threshold	0.0004ppm
Wasserlöslichkeit	INSOLUBLE
JECFA Number	264
BRN	1741912
Stabilität	Stable. Incompatible with strong bases, strong oxidizing agents.
InChIKey	FGKJLKRYENPLQH-UHFFFAOYSA-N
LogP	1.66
CAS Datenbank	646-07-1(CAS DataBase Reference)
NIST chemische Informationen	Pentanoic acid, 4-methyl-(646-07-1)
EPA chemische Informationen	Pentanoic acid, 4-methyl- (646-07-1)

Sicherheit

Kennzeichnung gefährlicher	Xn,C
R-Sätze:	21-38-34
S-Sätze:	36/37-45-36/37/39-25
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS-Nr.	NR2975000
F	13
TSCA	T
HazardClass	8
PackingGroup	III
HS Code	29159080

Gefahreninformationscode (GHS)

4-Methylvaleric acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R21:Gesundheitsschädlich bei Berührung mit der Haut.
R38:Reizt die Haut.
R34:Verursacht Verätzungen.
S-Sätze Betriebsanweisung:
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S25:Berührung mit den Augen vermeiden.
Beschreibung
4-Methylpentanoic acid has an unpleasant sour and penetrating odor.
Chemische Eigenschaften
4-Methylpentanoic acid has an unpleasant, sour, penetrating odor.
Chemische Eigenschaften
slightly brown liquid
Occurrence
Reported found in apple, roasted barley, beef, prefermented bread, Camembert cheese, Emmenthal cheese, roasted cocoa beans, dry cured ham, hops, roasted pecans, rum, soybeans, black tea, wine, guava, papaya, strawberry fruit and jam, baked potato, bell pepper, tomato, many cheeses, fish, beef, mutton, hop oil, mushrooms, mango, rice, sake, malt, wort, dried bonito and mussels
Verwenden
4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2′S)-2′,4′-dimethyl-valeryl)]-2-oxazolidinone.
Verwenden
Intermediate for plasticizers, pharmaceuticalsand perfumes.
Verwenden
4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2?S)-2?,4?-dimethyl-valeryl)]-2-oxazolidinone. It is a versatile building block used in the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and antagonists. It is involved in the synthesis of novel series of high affinity, functionally potent antagonists of the CCR1 receptor.
Definition
ChEBI: A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 alpha-hydroxycholesterol
Application
4-Methylvaleric acid, although identified in Nature, has found very little, if any, use in perfumes or flavors. It is mentioned mainly for the sake of completing the monographs on Methylpentanoic acids.
Aroma threshold values
Detection: 810 ppb.
Synthesis Reference(s)
The Journal of Organic Chemistry, 40, p. 1844, 1975 DOI: 10.1021/jo00900a040
Allgemeine Beschreibung
Conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported.

4-Methylvaleric acid Upstream-Materialien And Downstream Produkte

4-Methylvaleriansure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

646-07-1, 4-Methylvaleric acid Verwandte Suche:

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