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HomeProduct name listcis-3-Hexenyl hexanoate

cis-3-Hexenyl hexanoate

  • CAS NO.:31501-11-8
  • Empirical Formula: C12H22O2
  • Molecular Weight: 198.3
  • MDL number: MFCD00036552
  • EINECS: 250-661-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-22 20:27:16
cis-3-Hexenyl hexanoate Structural

What is cis-3-Hexenyl hexanoate?

Description

cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor.1 It is reminiscent of pear. May be synthesized by azeotropic esterification of ds-3-hexanol with n-hexanoic acid.

Chemical properties

cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor, reminiscent of pear.

Occurrence

Reported found among the high-boiling components in green tea; also as a component in the volatile fraction of tabasco pepper (Capsicum frutescens). Also reported found in orange peel oil, guava, corn mint oil, passion fruit and juice, plum, plumcot, starfruit, mango, quince, beli (Aegle marmelos Correa), babaco fruit (Carica pentagona Heilborn), nectarine and black choke berry

The Uses of cis-3-Hexenyl hexanoate

cis-3-Hexenyl hexanoate has been suggested for use in perfumes and flavors. It will primarily find application in flavors, where its Pear-Pineapple character and comparatively powerful Aroma could blend with the conventional materials in such flavor compositions. As a novel note in modem fragrances, it could form part of fruity-green topnote complexes, a type which is rather popular lately.

Preparation

By azeotropic esterification of cis-3-hexanol with n-hexanoic acid

Definition

ChEBI: Cis-3-Hexenyl hexanoate is a fatty acid ester.

Taste threshold values

Taste characteristics at 20 ppm: green, fruity, waxy and sweet with a berry and tropical nuance

Properties of cis-3-Hexenyl hexanoate

Melting point: 17.88°C (estimate)
Boiling point: 115 °C15 mm Hg(lit.)
Density  0.88 g/mL at 25 °C(lit.)
refractive index  n20/D 1.473(lit.)
FEMA  3403 | CIS-3-HEXENYL HEXANOATE
Flash point: 220 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  Practically insoluble in water, soluble in alcohol, Propylene glycol -and oils.
form  clear liquid
color  Colorless to Almost colorless
Specific Gravity 0.880
Odor at 100.00 %. fruity green waxy pear winey tropical grassy pineapple
JECFA Number 165
CAS DataBase Reference 31501-11-8(CAS DataBase Reference)
NIST Chemistry Reference Hexanoic acid, 3-hexenyl ester, (z)-(31501-11-8)
EPA Substance Registry System (Z)-3-Hexenyl hexanoate (31501-11-8)

Safety information for cis-3-Hexenyl hexanoate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for cis-3-Hexenyl hexanoate

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