PENTYL HEXANOATE

CAS No.：540-07-8

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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PENTYL HEXANOATE Basic information

Product Name:	PENTYL HEXANOATE
Synonyms:	Hexanoic Acid Amyl Ester Pentyl Hexanoate Hexanoic Acid Pentyl Ester;NSC 46119;NSC 53794;Amyl capronate;Amyl hexoate;amylcapronate;n-Amyl n-hexanoate;n-Amyln-caproate
CAS:	540-07-8
MF:	C11H22O2
MW:	186.29
EINECS:	208-732-4
Product Categories:	A-B;Alphabetical Listings;Flavors and Fragrances
Mol File:	540-07-8.mol

PENTYL HEXANOATE Chemical Properties

Melting point	-47°C
Boiling point	226 °C(lit.)
density	0.858 g/mL at 25 °C(lit.)
refractive index	n20/D 1.42(lit.)
FEMA	2074 \| AMYL HEXANOATE
Fp	195 °F
form	neat
color	Colorless to Almost colorless
Merck	14,605
JECFA Number	163
CAS DataBase Reference	540-07-8(CAS DataBase Reference)
EPA Substance Registry System	Hexanoic acid, pentyl ester (540-07-8)

Safety Information

Hazard Codes	Xi
Risk Statements	36/38-36/37/38
Safety Statements	26-36
RIDADR	NA 1993 / PGIII
WGK Germany	2
RTECS	MO8421700
HS Code	38220090
Toxicity	LD50 orl-rat: >5 g/kg FCTOD7 26,285,88

MSDS Information

Provider	Language
SigmaAldrich	English

PENTYL HEXANOATE Usage And Synthesis

Chemical Properties	Amyl hexanoate has a charcteristic fruit-like (banana, pineapple) aroma.
Occurrence	Reported in fresh apple, apple juice, apricot (Prunus armeniaca L.), Vitis labrusca L., other Vitis species, strawberry fruit, blue cheese, beer, rum, cider, white wine, soybean, yellow passion fruit juice, fresh plum, other varieties of mushroom, Chinese quince peel and other natural sources.
Preparation	By esterification of hexanoic acid with n-amyl alcohol in benzene solution in the presence of p-toluenesulfonic acid.
Taste threshold values	Taste characteristics at 20 ppm: green, waxy, sweet and fruity with cognac-like notes.
Synthesis Reference(s)	The Journal of Organic Chemistry, 35, p. 3167, 1970 DOI: 10.1021/jo00834a075
Safety Profile	Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.

PENTYL HEXANOATE Preparation Products And Raw materials

Raw materials	p-Toluenesulfonic acid-->Hexanoic acid-->ISOAMYL ALCOHOL-->HEXANOIC ANHYDRIDE
Preparation Products	DIHEXYL ETHER-->6-Undecanone-->1-Pentanol

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