Isovaleriansäure

Bezeichnung:Isovaleriansäure

CAS-Nr503-74-2

Englisch Name:Isovaleric acid

CBNumberCB8729604

SummenformelC5H10O2

Molgewicht102.13

MOL-Datei503-74-2.mol

Synonyma

Isovaleriansure

Isovaleriansäure

Isovaleriansäure physikalisch-chemischer Eigenschaften

Schmelzpunkt	-29 °C (lit.)
Siedepunkt	175-177 °C (lit.)
Dichte	0.925 g/mL at 20 °C (lit.)
Dampfdruck	0.38 mm Hg ( 20 °C)
Brechungsindex	n20/D 1.403(lit.)
FEMA	3102 \| ISOVALERIC ACID
Flammpunkt	159 °F
storage temp.	Store below +30°C.
Löslichkeit	48g/l
Aggregatzustand	Liquid
pka	4.77(at 25℃)
Farbe	Clear colorless to slightly yellow
Wichte	0.928 (20/20℃)
PH	3.92(1 mM solution);3.4(10 mM solution);2.89(100 mM solution);
Geruch (Odor)	at 1.00 % in propylene glycol. sour stinky feet sweaty cheese tropical
Geruchsart	cheesy
Explosionsgrenze	1.5-6.8%(V)
Wasserlöslichkeit	25 g/L (20 ºC)
Merck	14,5231
JECFA Number	259
BRN	1098522
Dielectric constant	2.6（20℃）
LogP	1.7 at 25℃
CAS Datenbank	503-74-2(CAS DataBase Reference)
NIST chemische Informationen	Butanoic acid, 3-methyl-(503-74-2)
EPA chemische Informationen	Isovaleric acid (503-74-2)

Sicherheit

Kennzeichnung gefährlicher	C,T
R-Sätze:	34-24-22
S-Sätze:	26-36/37/39-45-38-28A
RIDADR	UN 3265 8/PG 2
WGK Germany	1
RTECS-Nr.	NY1400000
F	13
Selbstentzündungstemperatur	824 °F
TSCA	Yes
HS Code	2915 60 90
HazardClass	6.1
PackingGroup	III
Giftige Stoffe Daten	503-74-2(Hazardous Substances Data)
Toxizität	LD50 i.v. in mice: 1120±30 mg/kg (Or, Wretlind)

Gefahreninformationscode (GHS)

Isovaleric acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R34:Verursacht Verätzungen.
R24:Giftig bei Berührung mit der Haut.
R22:Gesundheitsschädlich beim Verschlucken.
S-Sätze Betriebsanweisung:
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).
S38:Bei unzureichender Belüftung Atemschutzgerät anlegen.
Aussehen Eigenschaften
C5H10O2; Isovaleriansäure. Farblose Flüssigkeit mit ranzigem Geruch.
Gefahren für Mensch und Umwelt
Verursacht Verätzungen.
Wird durch die Haut resorbiert.
Nicht mit Laugen, Aminen und Nitrilen in Berührung bringen.
LD₅₀ (oral, Ratte): 2000 mg/kg
Schutzmaßnahmen und Verhaltensregeln
Geeignete Schutzhandschuhe als kurzzeitiger Spritzschutz.
Verhalten im Gefahrfall
Mit flüssigkeitsbindendem Material, z.B. Rench Rapid aufnehmen. Der Entsorgung zuführen. Nachreinigen.
Kohlendioxid, Wasser, Pulver.
Brennbar. Mit Luft Bildung explosionsfähiger Gemische möglich.
Erste Hilfe
Nach Hautkontakt: Mit viel Wasser abwaschen. Abtupfen mit Polyethylenglycol 400
Nach Augenkontakt: Mit reichlich Wasser bei geöffnetem Lidspalt mindestens 10 Minuten ausspülen. Sofort Augenarzt hinzuziehen.
Nach Einatmen: Frischluft. Arzt hinzuziehen.
Nach Verschlucken: Reichlich Wasser trinken. Erbrechen vermeiden (Perforationsgefahr!). Sofort Arzt hinzuziehen.
Nach Kleidungskontakt: Kontaminierte Kleidung sofort entfernen.
Ersthelfer: siehe gesonderten Anschlag
Sachgerechte Entsorgung
Als halogenfreie, organische Lösemittelabfälle.
Beschreibung
Isovaleric acid has a characteristic disagreeable odor. It is extremely penetrating and persistent with a sour taste. May be synthesized by oxidation of isoamyl alcohol or isovaleric aldehyde.
Chemische Eigenschaften
clear colorless to slightly yellow liquid
Chemische Eigenschaften
Isovaleric acid has a characteristic disagreeable, rancid, cheese-like odor. It is extremely penetrating and persistent with a sour taste. May consist of one or a mixture of isomers or n-pentanoic acid and/or 2- or 3-methyl butanoic acid. Consumption: Annual: 1850.00 lb
Occurrence
Of the three possible isomers of n-valeric acid, only isovaleric acid has extensive application in flavoring; originally reported in seal and dolphin fat; subsequently isolated from valerian. Also reported found in the essential oils of cypress, citronella, laurel leaves, cajeput, Cymbopogon javanensis, hops, Persea pubescens, geranium, American peppermint, spearmint, rosemary, lemongrass, Eucalyptus goniocalyx and other spp., tobacco, Monarda fistulos, Thymus mastichina, Artemisia frigida, and probably in lavender; reported among the constituents of petitgrain lemon. Also reported found in many foods including apple, currants, guava, grapes, papaya, peach, pineapple, raspberry, strawberry, potato, bell pepper, vinegar, breads, many cheeses, fish, chicken, lamb, hop oil, beer, cognac, whiskies, cider, sherry, grape wines, rum, cocoa, tea, coffee, honey, soybean, passion fruit, mushrooms, marjoram, plum, brandy, starfruit, trassi, rice, jackfruit, sake, sukiyaki, buckwheat, corn oil, cashew apple, malt, wort, Bourbon vanilla, shrimp, mussels, cherimoya, Cape gooseberry and Chinese quince frui
Verwenden
Isovaleric acid is used extensively as a flavoring ingredient in nonalcoholic beverages and in foods such as ice cream, candy, baked goods, and cheese, as a fragrance ingredient in perfumes, and as a chemical intermediate in the manufacture of sedatives and other pharmaceutical products. It is also used as an extractant of mercaptans from petroleum hydrocarbons, a vinyl stabilizer, and as an intermediate in the manufacture of plasticizers and synthetic lubricants.
Verwenden
A molecular entity capable of donating a hydron to an acceptor (Bronsted base). It is a favorable carbon source for cell growth. Moreover, it is a promising odor indicator.
Verwenden
In flavors, perfumes, manufacture of sedatives.
synthetische
By oxidation of isoamyl alcohol or isovaleric aldehyde
Definition
ChEBI: A C5, branched-chain saturated fatty acid.
Aroma threshold values
Detection: 190 ppb to 2.8 ppm
Synthesis Reference(s)
Chemical and Pharmaceutical Bulletin, 30, p. 2787, 1982 DOI: 10.1248/cpb.30.2787
Tetrahedron Letters, 23, p. 3135, 1982 DOI: 10.1016/S0040-4039(00)88578-0
Allgemeine Beschreibung
Isovaleric acid is a colorless liquid with a penetrating odor. Isovaleric acid is slightly soluble in water. Isovaleric acid is corrosive to metals and to tissue.
Air & Water Reaktionen
Isovaleric acid is slightly soluble in water.
Reaktivität anzeigen
Isovaleric acid is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in Isovaleric acid to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.
Hazard
Strong irritant to tissue.
Health Hazard
TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Brandgefahr
Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.

Isovaleric acid Upstream-Materialien And Downstream Produkte

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