Decyl aldehyde
Decyl aldehyde
CAS: 112-31-2
Molecular Formula: C10H20O
Decyl aldehyde - Names and Identifiers
| Name | Decyl aldehyde |
| Synonyms | Decanal c-10aldehyde C-10 Aldehyde Caprinaldehyd Decanal(C-10) Decyl aldehyde Capric aldehyde 1-decylaldehyde 1-Decyl aldehyde caprinicaldehyde Caprinic aldehyde 1-nonanecarbaldehyde |
| CAS | 112-31-2 |
| EINECS | 203-957-4 |
| InChI | InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 |
| InChIKey | KSMVZQYAVGTKIV-UHFFFAOYSA-N |
Decyl aldehyde - Physico-chemical Properties
| Molecular Formula | C10H20O |
| Molar Mass | 156.27 |
| Density | 0.83 g/mL at 20 °C0.83 g/mL at 25 °C (lit.) |
| Melting Point | 7 °C |
| Boling Point | 207-209 °C (lit.) |
| Flash Point | 186°F |
| JECFA Number | 104 |
| Water Solubility | INSOLUBLE |
| Solubility | Acetonitrile (Slightly), Chloroform (Sparingly), Methanol (Slightly) |
| Vapor Presure | ~0.15 mm Hg ( 20 °C) |
| Vapor Density | >1 (vs air) |
| Appearance | Transparent liquid |
| Color | clear, colorless |
| Odor | Pleasant. |
| BRN | 1362530 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents. |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.428(lit.) |
| MDL | MFCD00007031 |
| Physical and Chemical Properties | Colorless oily liquid. Boiling point 207-209 ℃, relative density 0.825-0.829, refractive index 1.427-1.430, flash point 82 ℃, soluble in the same volume of 80% ethanol and oil flavor, acid value <5. The fat wax has strong spikes, and the aroma is green and sweet. It has the afterallence of sweet orange oil and lemon oil, and rose-like and wax-like. Below 0.0005%, the fragrance was pleasant. |
| Use | For organic synthesis and fragrance |
Decyl aldehyde - 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 - Wear suitable protective clothing. |
| UN IDs | 3082 |
| WGK Germany | 2 |
| RTECS | HD6000000 |
| FLUKA BRAND F CODES | 8-10-23 |
| TSCA | Yes |
| HS Code | 29121900 |
| Hazard Note | Irritant |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 3096 mg/kg LD50 dermal Rabbit 4183 mg/kg |
Decyl aldehyde - Reference
| Reference Show more | 1. [IF=3.935] Muhammad Yasir Ali et al."Plant Volatiles and Herbivore Induced Plant Volatiles from Chili Pepper Act as Attractant of the Aphid Parasitoid Aphelinus varipes (Hymenoptera: Aphelinidae)."Plants-Basel. 2022 Jan;11(10):1350 2. [IF=6.576] Huajie Wang et al."Assessment of Variations in Round Green Tea Volatile Metabolites During Manufacturing and Effect of Second-Drying Temperature via Nontargeted Metabolomic Analysis."Frontiers in Nutrition. 2022; 9: 877132 |
Decyl aldehyde - Introduction
When diluted, there is a strong aroma similar to sweet orange oil and roses. Insoluble in water and glycerin, soluble in fatty oil; Volatile oil; Mineral oil and 80% alcohol. It has a fresh oil aroma, and it has a fruiting aroma when it is thin. It is easy to oxidize in the air to form decanoic acid.
Last Update：2022-10-16 17:12:11
Decyl aldehyde - Reference Information
| FEMA | 2362 | DECANAL |
| olfactory threshold (Odor Threshold) | 0.0004ppm |
| LogP | 3.8 at 35℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by aldehyde determination method (OT-6). The sample amount used is 1.5g. The equivalent factor (e) in the calculation is 78.14. It should be determined by non-polar column method in GT-10-4. |
| toxicity | Adl has not yet been specified (FAO/WHO,1994). GRAS(FDA § 182.60,2000). LD503.730 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 2.3; Cold drink 4.1; Candy 5.7; Baked food 6.6; Pudding 3.0; Gum candy 0.6. |
| use | trace use for citrus head fragrance and flower fragrance. Take its sweet wax fragrance from orange blossom, rose, jasmine, violet, acacia, rabbit ear grass, lilac and other fragrances, and take its citrus-like fruit fragrance from sweet orange, bergamot and lavender. GB 2760-96 stipulates that it is temporarily allowed to use edible spices. Mainly used to prepare citrus flavors. Used for organic synthesis and perfume Used for organic synthesis and perfume. It is often used as a raw material for the preparation of flavors such as iris, orange blossom, vegetarian, geranium, pansy, and rose. It is also used in small quantities when making artificial bergamot oil, neroli oil, and rose oil. |
| production method | exists in natural rose oil, lemon grass oil, coriander seed oil, citrus oil, iris root oil, neroli oil, etc. It can be separated from essential oil together with other aldehydes by generating bisulfite compounds. Industrial production of decanal is prepared by distilling the barium salt mixture of decanal and formic acid under reduced pressure; or undecanoic acid is first made into hydroxyunanoic acid and then dry distillation. It can also be treated with boric acid at 210°C with a normal mixed fatty alcohol composed of C7-C12, and the generated water and impurities can be steamed at the same time: the obtained decyl alcohol borate is decomposed with hot water, and the precipitated decyl alcohol is used Vacuum distillation purification: then, under a copper-chromium catalyst, dehydrogenate decyl alcohol at 200-220°C and under reduced pressure to obtain decanal: industrial decanal is a light yellow transparent liquid, the aldehyde content is not less than 70% (Shanghai Q/QBH 88-79). It is obtained by reduction of capric acid or oxidation of decanol. |
| spontaneous combustion temperature | 200°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:06
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