Name | isoamyl caproate |
Synonyms | isoamyl caproate Isoamyl Hexanoate Iso Amyl Caproate isopentyl caproate AMYL (ISO) CAPROATE METHYLBUTYL CAPROATE 3-methylbutyl hexanoate 3-METHYLBUTYL HEXANOATE hexanoicacid,isopentylester n-Caproic acid isoamyl ester Hexanoic acid, isopentyl ester Hexanoicacid,3-methylbutylester Hexanoic acid, 3-methylbutyl ester |
CAS | 2198-61-0 |
EINECS | 218-600-8 |
InChI | InChI=1/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3 |
Molecular Formula | C11H22O2 |
Molar Mass | 186.29 |
Density | 0.86g/mLat 25°C(lit.) |
Melting Point | -47°C (estimate) |
Boling Point | 222°C(lit.) |
Flash Point | 185°F |
JECFA Number | 46 |
Water Solubility | Insoluble in water |
Vapor Presure | 0.0861mmHg at 25°C |
Appearance | clear liquid |
Color | Colorless to Light yellow |
Storage Condition | Store below +30°C. |
Refractive Index | n20/D 1.42(lit.) |
Physical and Chemical Properties | Colorless liquid. Apple and pineapple-like aroma. Boiling point of 222 deg C, flash point 88 deg C. Soluble in ethanol, non-volatile oil and mineral oil, insoluble in propylene glycol, water and glycerin. Natural products are found in wine and orange peel. |
Safety Description | 24/25 - Avoid contact with skin and eyes. |
WGK Germany | 2 |
RTECS | MO8389300 |
HS Code | 29349990 |
Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
FEMA | 2075 | ISOAMYL HEXANOATE |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
content analysis | according to method 1 in ester determination method (OT-18). The sample amount taken is 1.2g. The equivalent factor (e) in the calculation is 93.15. |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): soft drink 7.8; Cold drink 14; Candy 17; Baked food 15; Pudding 3.7. Moderates are limited (FDA § 172.515,2000). |
use | GB 2760-96 specifies edible spices that are allowed to be used. It is mainly used to prepare flavors such as apples, bananas, pineapples and rum. |
production method | is made by esterification of isoamyl alcohol and caproic acid. |