Methylheptanoat

Bezeichnung:Methylheptanoat

CAS-Nr106-73-0

Englisch Name:Methyl heptanoate

CBNumberCB0441045

SummenformelC8H16O2

Molgewicht144.21

MOL-Datei106-73-0.mol

Synonyma

Methylheptanoat

Methylheptanoat physikalisch-chemischer Eigenschaften

Schmelzpunkt	-56°C
Siedepunkt	172-173 °C(lit.)
Dichte	0.87 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.411(lit.)
FEMA	2705 \| METHYL HEPTANOATE
Flammpunkt	127 °F
storage temp.	room temp
Löslichkeit	Chloroform: soluble; Ethanol: soluble; Ethyl ether: soluble
Aggregatzustand	Liquid
Farbe	Colorless to Light yellow
Geruch (Odor)	at 100.00 %. sweet fruit green orris waxy floral berry
Geruchsart	fruity
Biologische Quelle	synthetic
Spezifische Wärmekapazität	Cp(liquid): 1.98 J/(g·K), at 25℃
JECFA Number	167
BRN	1747147
Henry's Law Constant	1.8×10^-2 mol/(m³Pa) at 25℃, Plyasunov et al. (2004)
Dielectric constant	4.3600000000000003
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
InChIKey	XNCNNDVCAUWAIT-UHFFFAOYSA-N
SMILES	CCCCCCC(=O)OC
LogP	2.83
CAS Datenbank	106-73-0(CAS DataBase Reference)
NIST chemische Informationen	Heptanoic acid, methyl ester(106-73-0)
EPA chemische Informationen	Methyl heptanoate (106-73-0)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	16-26-36
RIDADR	UN 3272 3/PG 3
WGK Germany	2
RTECS-Nr.	MJ2297500
TSCA	TSCA listed
HS Code	2915 90 70
HazardClass	3.2
PackingGroup	III
Speicherklasse	3 - Flammable liquids
Hazard Classifications	Flam. Liq. 3
Toxizität	LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg

Gefahreninformationscode (GHS)

Methyl heptanoate Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S16:Von Zündquellen fernhalten - Nicht rauchen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Beschreibung
Methyl heptanoate has a strong, almost fruity, orris-like odor with a currant-like flavor. Methyl heptanoate may be prepared by treating heptanoic acid with methyl alcohol in the presence of HCL or H2SO4.
Chemische Eigenschaften
Methyl heptanoate has a strong, almost fruity, orris-like odor and currant-like flavor.
Chemische Eigenschaften
clear colorless liquid
Occurrence
Reported found in cranberry, papaya, pineapple, blackberry, strawberry, peas, pepper, Parmesan cheese, hop oil, white wine, olive, starfruit, malt, Bourbon vanilla, mountain papaya, endive, nectarine, lanb’s lettuce, mussel, spineless monkey orange and rooibus tea (Aspalathus linearis)
Verwenden
Heptanoic Acid Methyl Ester is an aroma and flavor constituent in MD2 pineapple variety (Ananas comosus [L.] Merr.)
Verwenden
Methyl heptanoate may be used as an external standard for the extraction and quantification of aroma compounds in stratch matrices using gas chromatography technique.
Definition
ChEBI: Methyl heptanoate is a fatty acid ester.
synthetische
By treating heptanoic acid with methyl alcohol in the presence of HCl or H2SO4
Aroma threshold values
Detection: 4 ppb
Taste threshold values
Taste characteristics at 35 ppm: sweet fruity and green
Synthesis Reference(s)
Canadian Journal of Chemistry, 52, p. 3651, 1974 DOI: 10.1139/v74-546
Journal of the American Chemical Society, 95, p. 1296, 1973 DOI: 10.1021/ja00785a047
Tetrahedron Letters, 29, p. 3833, 1988 DOI: 10.1016/S0040-4039(00)82127-9
Allgemeine Beschreibung
Methyl heptanoate has been identified in pineapple, Hardy kiwifruit and salak fruit.

Methyl heptanoate Upstream-Materialien And Downstream Produkte

Methylheptanoat Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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