Introduction：Basic information about 2,6-Dimethyl-5-heptenal CAS 106-72-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,6-Dimethyl-5-heptenal Basic information
| Product Name: | 2,6-Dimethyl-5-heptenal |
| Synonyms: | Melonal（2,6-Dimethyl-5-Heptenal）;,6-Dimethyl hept-5-en-1-al;2,6-dimethyl-5-heptena;2,6-dimethylhept-;2,6-dimethylhept-5-en-1-al;2,6-dimethylhept-5-enal;ai3-33278;nsc78450 |
| CAS: | 106-72-9 |
| MF: | C9H16O |
| MW: | 140.22 |
| EINECS: | 203-427-2 |
| Product Categories: | |
| Mol File: | 106-72-9.mol |
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2,6-Dimethyl-5-heptenal Chemical Properties
| Boiling point | 116-124 °C100 mm Hg(lit.) |
| density | 0.879 g/mL at 25 °C |
| vapor pressure | 2.39hPa at 25℃ |
| FEMA | 2389 | 2,6-DIMETHYL-5-HEPTENAL |
| refractive index | n20/D 1.444(lit.) |
| Fp | 141 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | Liquid |
| color | Light orange to Yellow to Green |
| Specific Gravity | 0.879 |
| Odor | at 1.00 % in dipropylene glycol. fresh ozone melon fresh air sweet clean green |
| Odor Type | melon |
| biological source | synthetic |
| Water Solubility | Soluble in alcohol, paraffin oil. Insoluble in water. |
| Sensitive | Air Sensitive |
| JECFA Number | 349 |
| Cosmetics Ingredients Functions | PERFUMING
SKIN CONDITIONING |
| InChI | 1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3 |
| InChIKey | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
| SMILES | CC(CC\C=C(\C)C)C=O |
| LogP | 3.4 |
| CAS DataBase Reference | 106-72-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Heptenal, 2,6-dimethyl-(106-72-9) |
| EPA Substance Registry System | 5-Heptenal, 2,6-dimethyl- (106-72-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| RIDADR | 1987 |
| WGK Germany | 2 |
| RTECS | MJ8797000 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29121900 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Skin Sens. 1B |
| toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974). |
2,6-Dimethyl-5-heptenal Usage And Synthesis
| Chemical Properties | 2,6-Dimethyl-5-hepten-1-al was identified inginger. It is a yellow liquid with a powerful, green, cucumber-like, and melonodor. It can be prepared by Darzens reaction of 6-methyl-5-hepten-2-one withethyl chloroacetate. The intermediate glycidate is saponified and decarboxylatedto yield the title compound.
It is used in many fragrance types and is invaluable in the creation ofmelon andcucumber notes. |
| Chemical Properties | 2,6-Dimethyl-5-heptenal has a characteristic odor of melon and a corresponding taste. |
| Occurrence | Reported found in lemon and lime peel oil, sudachi (Citrus sudachi H. ex. Shirai) and ginger. |
| Uses | It is used or fragrances designed to have a special fruity note tending towards melon, cucumber and pumpkin. It is mainly used perfuming agents. |
| Preparation | By condensation of isobutyric aldehyde with α-methylcrotonaldehyde, followed by par tial hydrogenation; also from methylheptenone through Darzen's reaction. |
| Aroma threshold values | Detection: 16 ppb |
| Taste threshold values | Taste characteristics at 50 ppm: green, melon, watermelon-rind, cucumber, with a waxy, chemical and floralnuance. |
| General Description | 2,6-Dimethyl-5-heptenal (melonal) and 5-heptenal undergo concerted ene reaction to form zwitterion that further reacts to give ene product. |
| Flammability and Explosibility | Not classified |
| Trade name | Melonal (Givaudan), Melomor (Aromor). |
| Safety Profile | skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. |
2,6-Dimethyl-5-heptenal Preparation Products And Raw materials
| Raw materials | Isobutyraldehyde-->Crotonaldehyde (trans predominantly) |
| Preparation Products | METHOPRENE |
