2-Methylbutyl-2-methylbutyrat

Bezeichnung:2-Methylbutyl-2-methylbutyrat

Englisch Name:2-Methylbutyl 2-methylbutyrate

CBNumberCB7463367

SummenformelC10H20O2

Molgewicht172.26

Synonyma

2-Methylbutyl-2-methylbutyrat

2-Methylbutyl-2-methylbutyrat physikalisch-chemischer Eigenschaften

Siedepunkt	70-72 °C11 mm Hg(lit.)
Dichte	0.855 g/mL at 25 °C(lit.)
FEMA	3359 \| 2-METHYLBUTYL 2-METHYLBUTYRATE
Brechungsindex	n20/D 1.411-1.417(lit.)
Flammpunkt	153 °F
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow
Geruch (Odor)	at 10.00 % in dipropylene glycol. sweet fruity ester berry green waxy apple
Geruchsart	fruity
JECFA Number	212
LogP	3.53
CAS Datenbank	2445-78-5(CAS DataBase Reference)
NIST chemische Informationen	Butanoic acid, 2-methyl-, 2-methylbutyl ester(2445-78-5)
EPA chemische Informationen	2-Methylbutyl 2-methylbutyrate (2445-78-5)

Sicherheit

Kennzeichnung gefährlicher	N
R-Sätze:	51/53
S-Sätze:	61
RIDADR	UN 3082 9/PG 3
WGK Germany	3
HS Code	29156000

Gefahreninformationscode (GHS)

R-Sätze Betriebsanweisung:
R51/53:Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen haben.
S-Sätze Betriebsanweisung:
S61:Freisetzung in die Umwelt vermeiden. Besondere Anweisungen einholen/Sicherheitsdatenblatt zu Rate ziehen.
Beschreibung
2-Methylbutyl 2-methylbutyrate is like fruit, berry, and apple. May be prepared by esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C.
Chemische Eigenschaften
2-Methylbutyl-2-methyl butyrate has a fruity, berry, apple like aroma.
Occurrence
Reported found as a component in the essential oil of hops (Humulus lupulus); also as the odorous component in Vaccinium vitis-idaea and in cocoa beans. Also reported found in apple, apricot, feyoa fruit (Feijoa sellowiana), melon, peppermint oil, spearmint oil, filberts, lovage leaf, myrtle leaf and berry and Roman chamomile oil
synthetische
By esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C
Definition
ChEBI: 2-Methylbutyl 2-methylbutanoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 30 ppm: sweet, fruity, pineapple character, estery with green, waxy and woody nuances
Synthesis Reference(s)
The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032