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: 2024-11-05 08:26:49
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 | n |
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) |
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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