Introduction：Basic information about alpha-Hexylcinnamaldehyde CAS 101-86-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
alpha-Hexylcinnamaldehyde Basic information
| Product Name: | alpha-Hexylcinnamaldehyde |
| Synonyms: | (2Z)-2-Hexyl-3-phenyl-2-propenal;.alpha.-hexylcinnamaldehyde(positivecontrolchemical);2-(phenylmethylene)-octana;2-(phenylmethylene)-Octanal;2-(Phenylmethylene)octanal,a-Hexyl-phenylacrolein;FEMA 2569;HCA;JASMONAL H |
| CAS: | 101-86-0 |
| MF: | C15H20O |
| MW: | 216.32 |
| EINECS: | 202-983-3 |
| Product Categories: | Aldehydes;C10 to C21;Carbonyl Compounds;aldehyde Flavor;Pharmaceutical Intermediates;Alphabetical Listings;Flavors and Fragrances;G-H;11 |
| Mol File: | 101-86-0.mol |
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alpha-Hexylcinnamaldehyde Chemical Properties
| Boiling point | 174-176 °C/15 mmHg (lit.) |
| density | 0.95 g/mL at 25 °C (lit.) |
| FEMA | 2569 | ALPHA-HEXYLCINNAMALDEHYDE |
| refractive index | n20/D 1.55(lit.) |
| Fp | 200 °F |
| storage temp. | -20°C |
| solubility | water: soluble0.005g/L at 25°C |
| form | Oil |
| color | Clear Yellow |
| Odor | at 100.00 %. fresh floral green jasmin herbal waxy |
| Odor Type | floral |
| biological source | synthetic |
| JECFA Number | 686 |
| Stability: | Hygroscopic |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+ |
| InChIKey | GUUHFMWKWLOQMM-NTCAYCPXSA-N |
| SMILES | [H]C(=O)\C(CCCCCC)=C\c1ccccc1 |
| LogP | 5.33 |
| CAS DataBase Reference | 101-86-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Octanal, 2-(phenylmethylene)-(101-86-0) |
| EPA Substance Registry System | .alpha.-Hexylcinnamaldehyde (101-86-0) |
Safety Information
| Hazard Codes | C,Xi |
| Risk Statements | 36/37/38-34-43-52/53 |
| Safety Statements | 26-36/37/39-45-36-36/37-61 |
| RIDADR | UN 3265 8/PG 3 |
| WGK Germany | 2 |
| RTECS | GD6560000 |
| TSCA | TSCA listed |
| HS Code | 29122990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Aquatic Acute 1
Aquatic Chronic 2
Skin Sens. 1 |
| toxicity | The acute oral LD50 value in rats was reported as 3.1 g/kg (2.45-3.75 g/kg) (Moreno, 1971). The acute dermal LD50 value in rabbits was reported as > 3 g/kg (Moreno, 1971). |
alpha-Hexylcinnamaldehyde Usage And Synthesis
| Description | α-Hexylcinnamaldehyde has a jasmine-like odor, particularly ondilution. May be synthesized by condensation of octylaldehyde with benzaldehyde. |
| Chemical Properties | Hexyl cinnamaldehyde has a jasmine-like odor, particularly on dilution. |
| Chemical Properties | alpha-Hexylcinnamaldehyde is a yellow liquidwith a mild, slightly fatty, floral, somewhat herbal odor, and a distinct jasminenote. Similarly to the ??-amyl homolog, ??-hexylcinnamaldehydemust be protectedagainst oxidation by the addition of stabilizers. It is prepared in a manner similarto that of ??-amylcinnamaldehyde by alkaline condensation of excess benzaldehydewith octanal (instead of heptanal). ??-Hexylcinnamaldehyde is widely usedin flower compositions (e.g., jasmine and gardenia) and, because of its stability toalkali, in soap perfumes. |
| Chemical Properties | Pale-yellow liquid; jasminelike odor,particularly on dilution. Soluble in most fixedoils and in mineral oil; insoluble in glycerol and inpropylene glycol. |
| Occurrence | Reported found in cooked, scented rice. |
| Uses | hexyl cinnamal is also known as hexyl cinnamic aldehyde. It is a fragrance that provides a floral, jasmine-like scent. |
| Uses | α-Hexylcinnamaldehyde is characterized by a typical floral scent, which makes them suitable to be used as fragrances in personal care (perfumes, creams, shampoos, etc.) and household products. It has been also used as flavouring additive in food and pharmaceutical industry. |
| Definition | ChEBI: A member of the class of cinnamaldehydes carrying a hexyl substituent at the alpha-position. |
| Preparation | By condensation of octylaldehyde with benzaldehyde |
| Taste threshold values | Taste characteristics at 5 ppm: sweet, waxy, floral, green, citrus and fruity nuances |
| General Description | Solubilization of α-hexylcinnamaldehyde by the ionic surfactants, sodium dodecyl sulfate and dodecyltrimethylammonium chloride and a non-ionic surfactant such as dodecyl polyoxyethylene ethers has been investigated. |
| Hazard | Combustible. |
| Contact allergens | Hexyl cinnamic aldehyde is a fragrance allergen. Itspresence has to be mentioned by name in cosmeticswithin the EU. |
| Solubility in organics | Insoluble in Propylene glycol and Glycerin. Soluble in alcohol, miscible with oils. |
alpha-Hexylcinnamaldehyde Preparation Products And Raw materials
| Raw materials | Benzaldehyde-->alpha-Amylcinnamaldehyde-->Octanal |
