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| | cis-3-Hexenyl hexanoate Basic information |
| | cis-3-Hexenyl hexanoate Chemical Properties |
| 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 | | Fp | 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 | | Odor Type | green | | JECFA Number | 165 | | Major Application | flavors and fragrances | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5- | | InChIKey | RGACQXBDYBCJCY-ALCCZGGFSA-N | | SMILES | [H]\C(CC)=C(/[H])CCOC(=O)CCCCC | | LogP | 4.54 | | 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) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 2 | | RTECS | MO8380000 | | TSCA | TSCA listed | | HS Code | 29159000 | | Storage Class | 10 - Combustible liquids |
| | cis-3-Hexenyl hexanoate Usage And Synthesis |
| 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 | | Uses | 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 |
| | cis-3-Hexenyl hexanoate Preparation Products And Raw materials |
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