Isoamyl isobutyrate
-
Isoamyl isobutyrate
structure -
-
CAS No:
2050-01-3
-
Formula:
C9H18O2
-
Chemical Name:
Isoamyl isobutyrate
-
Synonyms:
Propanoic acid,2-methyl-,3-methylbutyl ester;Isobutyric acid,isopentyl ester;Isopentyl alcohol,isobutyrate;3-Methylbutyl isobutyrate;Isoamyl isobutyrate;Isopentyl isobutyrate;3-Methyl-1-butyl isobutyrate;3-Methylbutyl 2-methylpropanoate;Isoamyl 2-methylpropanoate;Isoamyl isobutanoate
- Categories:
-
CAS No:
Description
colourless liquid with a fruity smell 3-Methylbutyl-2-methylpropionate has a fruity odor with an undertone reminiscent of apricot and pineapple.
Isoamyl isobutyrate is a fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid. It has a role as a metabolite. It derives from an isoamylol and an isobutyric acid.
Characteristics
26.30000
2.23170
colourless liquid with a fruity smell
0.856 g/mL at 25 °C(lit.)
-70ºC
168.5 °C
129 °F
n20/D 1.406(lit.)
136.1 mg/L @ 25 °C (est)
Keep away from heat, sparks and open flame. Keep containers tightly closed. Keep in original container. Flammable liquid storage.
1.89mmHg at 25°C
Safety Information
III
3
UN 2620 3/PG 3
3
10
16
Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1502 companies from 1 notifications to the ECHA C&L Inventory.
Isoamyl isobutyrate Use and Manufacturing
It is formed by steaming isobutanol and isoamyl alcohol and passing it on a copper manganese monoxide catalyst activated by silver.
GB 2760-96 stipulates the allowable food flavors. Mainly used to prepare pineapple, peach, apricot and other flavors.
Propanoic acid, 2-methyl-, 3-methylbutyl ester: ACTIVE
Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:158.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
2-((2-cyanoethyl)(phenyl)amino)ethyl isobutyrate
156814-31-2
-
3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate
67634-20-2
-
Thymyl isobutyrate
5451-67-2
-
Chromomycinone,6-(4-O-α-olivomosyl-β-olioside) 2-(O-α-olivomycosyl-(1→3)-O-β-olivosyl-(1→3)-β-olivoside),acetate isobutyrate Formula
6992-70-7
-
(-)-Bornyl isobutyrate Formula
85586-66-9
-
Isobornyl isobutyrate Formula
85586-67-0
-
Propyl isobutyrate Structure
644-49-5
-
Neryl isobutyrate Structure
2345-24-6
-
What is Isoamyl octanoate
2035-99-6
-
What is Isoamyl lactate
19329-89-6