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| | Caproic acid propyl ester Basic information |
| Product Name: | Caproic acid propyl ester | | Synonyms: | CAPROIC ACID PROPYL ESTER;FEMA 2949;PROPYL HEXANOATE;n-Propyl hexanoate, Caproic acid propyl ester, Propyl caproate;Caproic acid propyl ester, Propyl caproate;Propyl hexanoate >=98.0%;Propyl hexanoate,n-Propyl hexanoate, Caproic acid propyl ester, Propyl caproate;1-Propyl n-caproate | | CAS: | 626-77-7 | | MF: | C9H18O2 | | MW: | 158.24 | | EINECS: | 210-963-0 | | Product Categories: | | | Mol File: | 626-77-7.mol |  |
| | Caproic acid propyl ester Chemical Properties |
| Melting point | -69 °C (lit.) | | Boiling point | 187 °C (lit.) | | density | 0.867 g/mL at 25 °C (lit.) | | FEMA | 2949 | PROPYL HEXANOATE | | refractive index | n20/D 1.412(lit.) | | Fp | 125 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Almost insoluble in water, soluble in alcohol and oils. | | form | clear liquid | | color | Colorless to Almost colorless | | Odor | at 10.00 % in dipropylene glycol. sweet fruity juicy pineapple green tropical | | Odor Type | fruity | | biological source | synthetic | | JECFA Number | 161 | | Major Application | flavors and fragrances | | InChI | 1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3 | | InChIKey | HTUIWRWYYVBCFT-UHFFFAOYSA-N | | SMILES | CCCCCC(=O)OCCC | | LogP | 3.37 | | CAS DataBase Reference | 626-77-7(CAS DataBase Reference) | | NIST Chemistry Reference | Propyl caproate(626-77-7) | | EPA Substance Registry System | Propyl hexanoate (626-77-7) |
| Risk Statements | 10 | | Safety Statements | 16 | | RIDADR | UN 3272 3/PG 3 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29159000 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | Caproic acid propyl ester Usage And Synthesis |
| Chemical Properties | Colorless liquid | | Chemical Properties | n-Propyl hexanoate has an ether-like odor with a pineapple–blackberry undertone. It has a sweet, fruity flavor of blackberry
and plum. | | Uses |
n-Propyl hexanoate is a solvent for polar compounds and a fragrance used to replicate fruit scents and as. It is mostly used in imitation Pineapple, Blackberry, Plum, Cherry, etc., in concentrations equivalent to about 2 to 10 ppm in the finished consumer product.
| | Preparation | By esterification of hexanoic acid with propyl alcohol in benzene solution in the presence of p-toluenesulfonic acid. | | Definition | ChEBI: A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol. | | Taste threshold values | Taste characteristics at 50 ppm: pineapple, fruity, sweet, tropical, fresh green and juicy. |
| | Caproic acid propyl ester Preparation Products And Raw materials |
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