Isopentyl hexanoate supplier

Name
Isopentyl hexanoate
EINECS 218-600-8
CAS No. 2198-61-0
Article Data5
CAS DataBase
Density 0.87 g/cm³
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
Appearance COA
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hexanoicacid, isopentyl ester (7CI,8CI);Isopentyl alcohol, hexanoate (8CI);3-Methylbutyl hexanoate;Isoamyl caproate;Isoamyl hexanoate;Isopentyl hexanoate;
PSA 26.30000
LogP 3.15600

Synthetic route

: 123-51-3
i-Amyl alcohol

: 142-62-1
hexanoic acid

: 2198-61-0
3-methylbutyl hexanoate

Conditions

Conditions	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 C₁₁H₂₂O₂.

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.

Product Name

Isopentyl hexanoate