(2S)-2,6-dimethylhept-5-enal
2,6-dimethyl-5-hepten-1-al
CAS: 106-72-9
Molecular Formula: C9H16O
(2S)-2,6-dimethylhept-5-enal - Names and Identifiers
| Name | 2,6-dimethyl-5-hepten-1-al |
| Synonyms | melonal nsc78450 ai3-33278 Dimethylheptenal 2,6-dimethylhept- 2,6-dimethyl-5-heptena 2,6-dimethylhept-5-enal ,6-Dimethyl hept-5-en-1-al 2,6-dimethylhept-5-en-1-al 2,6-dimethyl-5-hepten-1-al (2R)-2,6-dimethylhept-5-enal (2S)-2,6-dimethylhept-5-enal |
| CAS | 106-72-9 |
| EINECS | 203-427-2 |
| InChI | InChI=1/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3/t9-/m1/s1 |
| InChIKey | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
(2S)-2,6-dimethylhept-5-enal - Physico-chemical Properties
| Molecular Formula | C9H16O |
| Molar Mass | 140.22 |
| Density | 0.879g/mLat 25°C |
| Boling Point | 116-124°C100mm Hg(lit.) |
| Flash Point | 141°F |
| JECFA Number | 349 |
| Water Solubility | Soluble in alcohol, paraffin oil. Insoluble in water. |
| Vapor Presure | 2.39hPa at 25℃ |
| Appearance | Liquid |
| Specific Gravity | 0.879 |
| Color | Light orange to Yellow to Green |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.444(lit.) |
| MDL | MFCD00006981 |
| Physical and Chemical Properties | Light yellow to yellow oily liquid with strong fresh muskmelon fragrance. Not very stable. Flash point of 62 deg C, boiling point of 116~124 deg C (13.3kPa). Soluble in ethanol, propylene glycol and non-volatile oil, insoluble in glycerol and water. |
| Use | For daily use and food flavor |
(2S)-2,6-dimethylhept-5-enal - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | 1987 |
| WGK Germany | 2 |
| RTECS | MJ8797000 |
| TSCA | Yes |
| HS Code | 29121900 |
| Hazard Note | Irritant |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974). |
(2S)-2,6-dimethylhept-5-enal - Introduction
With fresh melon aroma. Insoluble in water, soluble in alcohol.
Last Update：2022-10-16 17:11:47
(2S)-2,6-dimethylhept-5-enal - Reference Information
| FEMA | 2389 | 2,6-DIMETHYL-5-HEPTENAL |
| LogP | 3.4 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | accurately weigh about 1g of sample. Then according to aldehyde content determination method (OT-7-1). The equivalent factor (e) in the calculation is 14.01. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 2.8; Cold drink 1.7; Candy 8.4; Baked food 19; Pudding 0.02~10; Glue |
| use | GB 2760-96 specifies edible spices allowed to be used. Mainly used to prepare melon, cucumber and tropical fruit flavors. Used as daily and edible essence Used as daily and edible essence. |
| Production method | It is formed by local hydrogenation of isobutyraldehyde and β-methylbutyraldehyde after condensation. |
Last Update：2024-04-09 20:13:35
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