Hexyl isobutyrate

CAS No.：2349-07-7

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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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Hexyl isobutyrate Basic information

Product Name:	Hexyl isobutyrate
Synonyms:	HEXYL ISOBUTYRATE;HEXYL 2-METHYLPROPANOATE;FEMA 3172;n-hexylisobutanoate;Propanoicacid,2-methyl-,hexylester;HEXYL ISOBUTYRATE 98+%;Hexylisobutyrat;exyl isobutyrate
CAS:	2349-07-7
MF:	C10H20O2
MW:	172.26
EINECS:	219-075-8
Product Categories:	Alphabetical Listings;Flavors and Fragrances;G-H
Mol File:	2349-07-7.mol

Hexyl isobutyrate Chemical Properties

Melting point	-78°C (estimate)
Boiling point	202.6°C (estimate)
density	0.86 g/mL at 25 °C(lit.)
vapor pressure	4.39hPa at 20℃
refractive index	n20/D 1.413(lit.)
FEMA	3172 \| HEXYL ISOBUTYRATE
Fp	164 °F
storage temp.	Sealed in dry,Room Temperature
Water Solubility	58.21mg/L at 20℃
JECFA Number	189
LogP	4.668 at 25℃
CAS DataBase Reference	2349-07-7(CAS DataBase Reference)
NIST Chemistry Reference	Propanoic acid, 2-methyl-, hexyl ester(2349-07-7)
EPA Substance Registry System	Hexyl isobutyrate (2349-07-7)

Safety Information

WGK Germany	2
RTECS	NQ4695000

MSDS Information

Provider	Language
SigmaAldrich	English

Hexyl isobutyrate Usage And Synthesis

Description	Hexyl isobutyrate has a powerful, somewhat harsh fruity aroma. May be synthesized by direct esterification of n-hexanol with isobutyric acid.
Chemical Properties	Hexyl isobutyrate has a powerful, somewhat harsh, fruity aroma.
Occurrence	Reported found in lavender oil, hop oil, sherry, apple, apricot, grapes, beer, white and sparkling wine, sherry, yellow passion fruit, plum, starfruit, quince, cherimoya, spineless monkey orange and Chinese quince peel.
Preparation	By direct esterification of n-hexanol with isobutyric in sherry
Aroma threshold values	Detection: 6 to 26 ppb
Taste threshold values	Taste characteristics at 10 ppm: green, sweet, fruity, apple- and pear-like with banana and melon nuances
Flammability and Explosibility	Notclassified

Hexyl isobutyrate Preparation Products And Raw materials

Raw materials

Isobutyric acid-->Hexyl methacrylate-->1-Hexanol

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