Name
|
|
EINECS
|
218-600-8
|
CAS No.
|
2198-61-0
|
Density
|
0.87 g/cm3
|
PSA
|
26.30000
|
LogP
|
3.15600
|
Solubility
|
Insoluble in water
|
Melting Point
|
250 - 251oC
|
Formula
|
C11H22O2
|
Boiling Point
|
225.5 °C at 760 mmHg
|
Molecular Weight
|
186.294
|
Flash Point
|
82.9 °C
|
Transport Information
|
N/A
|
Appearance
|
COA
|
Safety
|
24/25
|
Risk Codes
|
N/A
|
Molecular Structure
|
|
Hazard Symbols
|
N/A
|
Synonyms
|
Hexanoicacid, isopentyl ester (7CI,8CI);Isopentyl alcohol, hexanoate (8CI);3-Methylbutyl hexanoate;Isoamyl caproate;Isoamyl hexanoate;Isopentyl hexanoate;
|
Article Data |
5
|
Isopentyl hexanoate Synthetic route
ConditionsConditions | Yield |
---|
With sulfuric acid In benzene | |
With rapeseed lipase acetone powder In hexane at 40℃; for 48h; Enzymatic reaction; | 93 %Chromat. |
With 2,2,4-trimethylpentane; Candida rugosa lipase (Type VII); water at 39.84℃; for 4h; Enzymatic reaction; | |
Isopentyl hexanoate Chemical Properties
Product Name: Isopentyl hexanoate
The MF of Isopentyl hexanoate (2198-61-0) is C
11H
22O
2.
The MW of Isopentyl hexanoate (2198-61-0) is 186.29.
Synonyms: Hexanoic acid , 3-methylbutyl ester ; Hexanoic acid , isopentyl ester ; Hexanoicacid , 3-methylbutylester ; METHYLBUTYL CAPROATE ; hexanoicacid , isopentylester ; isopentyl caproate ; 3-METHYLBUTYL HEXANOATE ; AMYL (ISO) CAPROATE
Product Categories: Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L
EINECS: 218-600-8
Flash Point: 82.9°C
Boiling Point: 225.5°C
density: 0.86 g/mL at 25°C(lit.)
refractive index: n20/D 1.42(lit.)
FEMA: 2075
Isopentyl hexanoate Uses
Isopentyl hexanoate (2198-61-0) is mainly used for the preparation of apple, banana, pineapple and rum flavor.
Isopentyl hexanoate Toxicity Data With Reference
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | | Food and Cosmetics Toxicology. Vol. 17, Pg. 825, 1979. |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | | Food and Cosmetics Toxicology. Vol. 17, Pg. 825, 1979. |
Isopentyl hexanoate Consensus Reports
Reported in EPA TSCA Inventory.
Isopentyl hexanoate Safety Profile
A mild skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety information of Isopentyl hexanoate (2198-61-0):
WGK Germany 2
RTECS MO8389300
HS Code 29159080
Isopentyl hexanoate Specification
Store in a cool, dry place. Keep container closed when not in use.Keep tightly closed. Keep away from heat and open flame.Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.