Hexanal
Hexanal
CAS: 66-25-1
Molecular Formula: C6H12O
Hexanal - Names and Identifiers
| Name | Hexanal |
| Synonyms | Hexanal butacetin Hexaldehyde Hexaldethde Capronaldehyd Caproaldehyde Hexanal (Capro Capronaldehyde n-Hexyl aldehyde Natural Hexaldethde HEXANAL FOR SYNTHESIS 5 ML Capronaldehyde~Hexaldehyde HEXANAL FOR SYNTHESIS 250 ML n-Hexylaldehyde 〔n-Capronaldehyde〕 Hexanal (stabilised) for synthesis CapronaldehydeHexaldehydeHexyl Aldehyde |
| CAS | 66-25-1 |
| EINECS | 200-624-5 |
| InChI | InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
Hexanal - Physico-chemical Properties
| Molecular Formula | C6H12O |
| Molar Mass | 100.16 |
| Density | 0.816g/mLat 20°C |
| Melting Point | -56 °C |
| Boling Point | 130-131°C(lit.) |
| Flash Point | 90°F |
| JECFA Number | 92 |
| Water Solubility | 4.8 g/L (20 ºC) |
| Solubility | 6g/l |
| Vapor Presure | 10 mm Hg ( 20 °C) |
| Vapor Density | >1 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| Odor | Pungent. |
| Merck | 14,1760 |
| BRN | 506198 |
| PH | 4-5 (4.8g/l, H2O, 20℃) |
| Storage Condition | 2-8°C |
| Stability | Stable. Flammable. Incompatible with oxidizing agents, strong bases, strong reducing agents. |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.4035(lit.) |
| Physical and Chemical Properties | Almost colorless transparent liquid, raw oil and grass gas and apple aroma. Boiling point 131 ℃, flash point 32 ℃, Freezing Point ~ 56.3 ℃. Miscible in ethanol, propylene glycol and most non-volatile oil, difficult to dissolve in water. Natural products are found in apples, strawberries, tea, bitter orange, coffee and more than ten kinds of essential oils. |
| Use | Used as a reagent for gas chromatography analysis |
Hexanal - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36 - Irritating to the eyes R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition. S9 - Keep container in a well-ventilated place. |
| UN IDs | UN 1207 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MN7175000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 2912 19 00 |
| Hazard Note | Irritant |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 4.89 g/kg (Smyth) |
Hexanal - Reference Information
| FEMA | 2557 | HEXANAL |
| olfactory Threshold | 0.00028ppm |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | gas chromatography analysis was performed on a polar column as GT-10-4. |
| toxicity | GRAS(FEMA). LD50 4890 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 1.3; Cold drinks 2.8; Candy 3.6; Baked goods 4.2; pudding 2.0~2.5; Gum |
| Use | GB 2760-96 specifies temporary use of flavorants. Mainly used for the preparation of Apple and tomato flavor. for the synthesis of fragrances and the preparation of caproic acid. It is also used as a gas chromatography reagent. for Wittig and Aldol reactions. It is also used as a gas chromatography reagent. |
| production method | is obtained by oxidation of N-hexanol. In laboratory preparation, 1-bromopentane can be reacted with magnesium and then with ethyl orthoformate to give diethanol acetal. It is then distilled together with sulfuric acid and the dissociated ortho-aldehyde is distilled off simultaneously with the hydrolysis. obtained by the reaction of calcium hexanoate and formic acid. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 4890 mg/kg; Oral-mouse LD50: 8292 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 100 mg/24 h mild |
| flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; combustion-induced smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| spontaneous combustion temperature | 220°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-06-11 12:30:02
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