| Hexyl hexanoate Basic information |
| Product Name: | Hexyl hexanoate |
| Synonyms: | HEXYL HEXANOATE;HEXYL HEXOATE;HEXYL CAPROATE;FEMA 2572;N-HEXANOIC ACID N-HEXYL ESTER;N-HEXYL CAPROATE;N-HEXYL HEXANOATE;N-HEXYL N-CAPROATE |
| CAS: | 6378-65-0 |
| MF: | C12H24O2 |
| MW: | 200.32 |
| EINECS: | 228-952-4 |
| Product Categories: | G-HFlavors and Fragrances;Prepackaged Samples;Alphabetical Listings;Flavors and Fragrances |
| Mol File: | 6378-65-0.mol |
| Hexyl hexanoate Chemical Properties |
| Melting point | −55 °C(lit.) |
| Boiling point | 245-246 °C(lit.) |
| density | 0.863 g/mL at 25 °C(lit.) |
| vapor pressure | 2.4Pa at 20℃ |
| FEMA | 2572 | HEXYL HEXANOATE |
| refractive index | n |
| Fp | 211 °F |
| form | neat |
| color | Colorless to Almost colorless |
| Water Solubility | 951μg/L at 20℃ |
| JECFA Number | 164 |
| LogP | 5.7 at 20℃ |
| CAS DataBase Reference | 6378-65-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Hexanoic acid, hexyl ester(6378-65-0) |
| EPA Substance Registry System | Hexanoic acid, hexyl ester (6378-65-0) |
| Safety Information |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39-24/25 |
| WGK Germany | 2 |
| RTECS | MO8385000 |
| HS Code | 29159000 |
| MSDS Information |
| Provider | Language |
|---|---|
| Hexyl hexanoate | English |
| SigmaAldrich | English |
| Hexyl hexanoate Usage And Synthesis |
| Description | Hexyl hexanoate has a herbaceous odor. May be synthesized by passing n-hexyl alcohol over CuO + UO3 catalyst at 220 - 310°C, or by treating n-hexyl alcohol with Ca(Br03)2 and diluted aqueous HBr at 30°C. |
| Chemical Properties | Hexyl hexanoate has an herbaceous odor |
| Chemical Properties | Oily liquid |
| Occurrence | Reported found in apple, apricot, banana, sweet cherry, orange peel oil, guava, grapes, melon, papaya, strawberry fruit and jam, tomato, Parmesan cheese, rum, cider, sherry, grape wine, black tea, passion fruit, plum, mushroom, starfruit, quince, cherimoya, mountain papaya, black choke cherry, spineless monkey orange, Chinese quince peel and hog plum (Spondias mombins L.) |
| Preparation | By passing n-hexyl alcohol over CuO + UO3 catalyst at 220 to 310°C, or by treating n-hexyl alcohol with Ca(BrO3)2 and diluted aqueous HBr at 30°C |
| Aroma threshold values | Detection: 6.4 ppm |
| Taste threshold values | Taste characteristics at 40 ppm: sweet, fruity and green with tropical notes. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 43, p. 371, 1978 DOI: 10.1021/jo00396a054 |
| Flammability and Explosibility | Notclassified |
| Hexyl hexanoate Preparation Products And Raw materials |
| Raw materials | Cupric oxide-->1-Hexanol-->URANIUM(VI) OXIDE-->FEMA 2811-->N-OCTYL CAPROATE-->1-Octanol |
| Preparation Products | DIHEXYL ETHER-->N-CAPROIC ACID ISOPROPYL ESTER |
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