Decyl aldehyde CAS 112-31-2
Introduction：Basic information about Decyl aldehyde CAS 112-31-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Decyl aldehyde Basic information
| Product Name: | Decyl aldehyde |
| Synonyms: | 1-Decyl aldehyde;1-decylaldehyde;1-nonanecarbaldehyde;C-10 Aldehyde;c-10aldehyde;Caprinaldehyd;Caprinic aldehyde;caprinicaldehyde |
| CAS: | 112-31-2 |
| MF: | C10H20O |
| MW: | 156.27 |
| EINECS: | 203-957-4 |
| Product Categories: | Aldehydes;Building Blocks;C10-C12;Carbonyl Compounds;Carthamus tinctorius (Safflower oil);Chemical Synthesis;Pharmaceutical Intermediates;Citrus aurantium (Seville orange);Humulus lupulus (Hops);Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);s wort);Zingiber officinale (Ginger) |
| Mol File: | 112-31-2.mol |
Decyl aldehyde Chemical Properties
| Melting point | 7 °C |
| Boiling point | 207-209 °C (lit.) |
| density | 0.83 g/mL at 20 °C0.83 g/mL at 25 °C (lit.) |
| vapor density | >1 (vs air) |
| vapor pressure | ~0.15 mm Hg ( 20 °C) |
| refractive index | n |
| FEMA | 2362 | DECANAL |
| Fp | 186 °F |
| storage temp. | Store below +30°C. |
| solubility | Acetonitrile (Slightly), Chloroform (Sparingly), Methanol (Slightly) |
| form | liquid |
| color | clear, colorless |
| Odor | pleasant smell |
| Odor Threshold | 0.0004ppm |
| Odor Type | aldehydic |
| biological source | synthetic |
| Water Solubility | INSOLUBLE |
| Sensitive | Air Sensitive |
| JECFA Number | 104 |
| BRN | 1362530 |
| Dielectric constant | 8.1（Ambient） |
| Stability: | Stable. Flammable. Incompatible with strong oxidizing agents. |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | FRAGRANCE |
| InChI | 1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 |
| InChIKey | KSMVZQYAVGTKIV-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CCCCCCCCC |
| LogP | 3.8 at 35℃ |
| CAS DataBase Reference | 112-31-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Decanal(112-31-2) |
| EPA Substance Registry System | Decanal (112-31-2) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | 3082 |
| WGK Germany | 2 |
| RTECS | HD6000000 |
| F | 8-10-23 |
| Autoignition Temperature | 200 °C |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HazardClass | 9 |
| PackingGroup | III |
| HS Code | 29121900 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Aquatic Chronic 3 Eye Irrit. 2 |
| Hazardous Substances Data | 112-31-2(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 3096 mg/kg LD50 dermal Rabbit 4183 mg/kg |
| Chemical Properties | colourless liquid, an important component of citrus |
| Chemical Properties | Decanal is a componentof many essential oils (e.g., neroli oil) and various citrus peel oils. It is a colorlessliquid with a strong odor, reminiscent of orange peel, which changes to a freshcitrus odor when diluted. Decanal is used in low concentrations in blossom fragrances(especially |
| Chemical Properties | Decanal has a penetrating, sweet, waxy, floral, citrus, pronounced fatty odor that develops a floral character on dilutionand fatty, citrus-like taste. |
| Occurrence | Among the aliphatic aldehydes, it has the largest natural occurrence in a variety of essential oils and extractionproducts: lemongrass, lavender, Taiwan citronella, sweet orange, mandarin, grapefruit, orris, coriander, Acacia farnesiana Willd.,lemon (from different sources), bitter orange, petitgrain bergamot, petitgrain lime, lime and Bulgarian clary sage. Also reportedfound in citrus peel oils and juices, apple, apricots, avocado, guava, strawberry, baked potato, tomato, rice, ginger, mozarella cheese,other cheeses, butter, milk, lean fish, cooked chicken, beef, pork, beer, tea, cocoa, roasted peanuts, pecans, soybeans, coconut oil,coriander seed and leaf and corn oil. |
| Uses | Decanal is used in fragrances and flavoring and it is an important component in citrus along with octanal, citral, and sinensal. It is also used in Air Care Products, Laundry and Dishwashing Products, Personal Care Products. |
| Definition | ChEBI: A fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid). |
| Preparation | Industrially prepared by oxidation of n-decanol or by reduction of the corresponding acid. |
| Aroma threshold values | Detection: 0.1 to 6 ppb; recognition: 9 ppb; aroma characteristics at 1.0%; sweet clean orange, citrus-like,waxy and aldehydic, woody, candy-like with a floral and cilantro stem nuance. |
| Taste threshold values | Taste characteristics at 10 ppm in 5% sugar and 0.1% CA. Sweet citrus body, orange, waxy and slightlywoody with a cilantro stem and geranium floral nuance. |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 32, p. 2356, 1967 DOI: 10.1021/jo01282a605 Tetrahedron Letters, 31, p. 4825, 1990 DOI: 10.1016/S0040-4039(00)97742-6 |
| General Description | Colorless to light yellow liquid with a pleasant odor. Floats on water. Freezing point in 64°F. |
| Air & Water Reactions | Insoluble in water. |
| Reactivity Profile | Decanal is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. |
| Health Hazard | On direct contact can produce eye and skin irritation; low general toxicity. |
| Flammability and Explosibility | Non flammable |
| Chemical Reactivity | Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent. |
| Safety Profile | : Moderately toxic by ingestion. A severe skin irritant. See also 1DECANAL. When heated to decomposition it emits acrid smoke and fumes. |
| Metabolism | See monograph on aldehyde C-8|. |
Decyl aldehyde Preparation Products And Raw materials
| Raw materials | Formic acid-->Undecenoic acid-->Decanoic acid-->1-Decanol-->Neroli oil-->Rose Oil-->LEMONGRASS OIL, WEST INDIAN TYPE-->Copper chromite-->Orris oil-->CORIANDER OIL-->Decanethioic acid, S-methyl ester-->3-Decene-->8-Decenoic acid, 10-oxo-, methyl ester-->TRANS-3-NONENE |
| Preparation Products | 1,1-Dimethoxydecane-->TRANS-2-DODECEN-1-OL-->2-Octyl-1-dodecanol-->Ethyl laurate |
