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HomeProduct name listCIS-3-HEXENYL ISOBUTYRATE

CIS-3-HEXENYL ISOBUTYRATE

  • CAS NO.:41519-23-7
  • Empirical Formula: C10H18O2
  • Molecular Weight: 170.25
  • MDL number: MFCD00036529
  • EINECS: 255-424-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-26 09:13:27
CIS-3-HEXENYL ISOBUTYRATE Structural

What is CIS-3-HEXENYL ISOBUTYRATE?

Chemical properties

(Z)-3-Hexenyl Isobutyrate is found in spearmint oil. It smells fruity green and is used in perfumery to create freshness in blossom compositions.

Chemical properties

(Z)-3-Hexenyl isobutyrate has a green, fruity, apple-like odor

Occurrence

Reported found in guava, spearmint, Chinese quince.

The Uses of CIS-3-HEXENYL ISOBUTYRATE

As compared to the n-Butyratc, this ester is less buttery, more fruity in its overall odor type. It is perhaps less reminiscent of natural products except Apple, and has therefore not become very popular. It could find usc as a modifier for the Hcxcnyl esters with lower acids, and it will blend particularly well with fruity notes of the Apple-Peach-Apricot type (Undccanolidc, etc.). It lends freshness to Lavender and other hcrbaccous fragrances, and gives lift to many types of floral fragrance.

Definition

ChEBI: 3Z-Hexenyl isobutyrate is a carboxylic ester.

Preparation

by csterification of cis-3-Hexenol with iso-Butyric acid under azeotropic conditions.

Aroma threshold values

Aroma characteristics at 1.0%: sweet fruity apple and pear with a slight green character

Taste threshold values

Taste characteristics at 1 to 5 ppm: sweet, fruity, apple and pear with a slight green character and nuances of raw beans and filberts

General Description

Natural occurrence: Guava, spearmint, Chinese quince.

Biochem/physiol Actions

Taste at 1-5 ppm

Properties of CIS-3-HEXENYL ISOBUTYRATE

Melting point: -89.9°C (estimate)
Boiling point: 92 °C20 mm Hg(lit.)
Density  0.878 g/mL at 25 °C(lit.)
vapor pressure  2.16-2.73hPa at 20-25℃
FEMA  3929 | CIS-3-HEXENYL ISOBUTYRATE
refractive index  n20/D 1.428(lit.)
Flash point: 185 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Practically insoluble in water. soluble in alcohol and propylene glycol, miscible with oils.
form  Liquid
color  Colorless to Light yellow
Specific Gravity 0.89
Odor at 10.00 % in dipropylene glycol. fruity green pear apple tropical mango tomato leaf violet leaf
JECFA Number 1275
CAS DataBase Reference 41519-23-7(CAS DataBase Reference)
EPA Substance Registry System (Z)-3-Hexenyl isobutyrate (41519-23-7)

Safety information for CIS-3-HEXENYL ISOBUTYRATE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H315:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.

Computed Descriptors for CIS-3-HEXENYL ISOBUTYRATE

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