Introduction：Basic information about 3-OCTEN-2-ONE CAS 1669-44-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-OCTEN-2-ONE Basic information
| Product Name: | 3-OCTEN-2-ONE |
| Synonyms: | 3-OCTEN-2-ONE;TRANS-3-OCTEN-2-ONE;oct-3-en-2-one;3-OCTEN-2-ONE 98%;3-Octen-2-one,98%;1-Hexenyl methyl ketone;(3E)-3-Octen-2-one;FEMA 3416 |
| CAS: | 1669-44-9 |
| MF: | C8H14O |
| MW: | 126.2 |
| EINECS: | 216-793-3 |
| Product Categories: | |
| Mol File: | 1669-44-9.mol |
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3-OCTEN-2-ONE Chemical Properties
| Melting point | -66.9°C (estimate) |
| Boiling point | 100 °C18 mm Hg(lit.) |
| density | 0.857 g/mL at 25 °C(lit.) |
| FEMA | 3416 | 3-OCTEN-2-ONE |
| refractive index | n20/D 1.448(lit.) |
| Fp | 130 °F |
| storage temp. | Storage temp. 2-8°C |
| form | clear liquid |
| color | Colorless to Yellow to Green |
| Odor | at 1.00 % in dipropylene glycol. earthy spicy herbal sweet mushroom hay blueberry |
| Odor Type | earthy |
| JECFA Number | 1128 |
| BRN | 1742230 |
| LogP | 2.16 |
| CAS DataBase Reference | 1669-44-9(CAS DataBase Reference) |
| EPA Substance Registry System | 3-Octen-2-one (1669-44-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 16-37-26 |
| RIDADR | UN 1224 3/PG 3 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29337900 |
3-OCTEN-2-ONE Usage And Synthesis
| Uses | 3-Octen-2-one is a straight-chain α,β-unsaturated methyl ketone that is widely found in nature. It is a natural flavoring that is widely used in berry and fruit flavorings. |
| Description | May be synthesized by bubbling air in a solution of an organoboranederivative of 1-butene and l-butyn-2-one in tetrahydrofuran. |
| Chemical Properties | 3-Octen-2-one has a fruity, lemon odor. |
| Chemical Properties | clear colorless to light yellow liquid |
| Occurrence | Reported found in roasted filberts, asparagus, baked potato, fish, cooked chicken and beef, white wine, peanuts,pecan, oats, soybean, mushroom, trassi, fenugreek, coriander seed, rice bran, cooked scented rice and corn tortillas. |
| Definition | ChEBI: 3-Octen-2-one is an olefinic compound. It is functionally related to an acrylic acid. |
| Preparation | By bubbling air in a solution of an organoborane derivative of 1-butene and 1-butyn-2-one in tetrahydrofuran. |
| Taste threshold values | Taste characteristics at 5 ppm: creamy, earthy, oily, with mushroom nuances. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 43, p. 710, 1978 DOI: 10.1021/jo00398a042
Synthetic Communications, 19, p. 501, 1989 DOI: 10.1080/00397918908050692 |
3-OCTEN-2-ONE Preparation Products And Raw materials
| Raw materials | 1-(3-Butyloxiranyl)ethanone-->3-OCTYN-2-ONE-->3-OCTEN-2-OL-->2-OCTEN-4-ONE-->2-Octanone-->1-OCTENE-->1-Hexene-->Acetyl chloride-->Acetone-->Valeraldehyde |
| Preparation Products | 2-methyl-3-pentyloxirane-->1-methylpentyl acetate |
