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Decyl aldehyde

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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;Citrus aurantium (Seville orange);Humulus lupulus (Hops);Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);s wort);Zingiber officinale (Ginger);Pharmaceutical Intermediates
Mol File:112-31-2.mol
Decyl aldehyde Structure
Decyl aldehyde Chemical Properties
Melting point 7 °C
Boiling point 207-209 °C (lit.)
density 0.83 g/mL at 20 °C 0.83 g/mL at 25 °C (lit.)
vapor density >1 (vs air)
vapor pressure ~0.15 mm Hg ( 20 °C)
refractive index n20/D 1.428(lit.)
FEMA 2362 | DECANAL
Fp 186 °F
storage temp. Store below +30°C.
solubility Acetonitrile (Slightly), Chloroform (Sparingly), Methanol (Slightly)
form liquid
color clear, colorless
Odorpleasant smell
Odor Threshold0.0004ppm
Odor Typealdehydic
biological sourcesynthetic
Water Solubility INSOLUBLE
Sensitive Air Sensitive
JECFA Number104
BRN 1362530
Dielectric constant8.1(Ambient)
Stability:Stable. Flammable. Incompatible with strong oxidizing agents.
Major Applicationcleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients FunctionsFRAGRANCE
InChI1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChIKeyKSMVZQYAVGTKIV-UHFFFAOYSA-N
SMILES[H]C(=O)CCCCCCCCC
LogP3.8 at 35℃
CAS DataBase Reference112-31-2(CAS DataBase Reference)
NIST Chemistry ReferenceDecanal(112-31-2)
EPA Substance Registry SystemDecanal (112-31-2)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
RIDADR 3082
WGK Germany 2
RTECS HD6000000
8-10-23
Autoignition Temperature200 °C
Hazard Note Irritant
TSCA TSCA listed
HazardClass 9
PackingGroup III
HS Code 29121900
Storage Class10 - Combustible liquids
Hazard ClassificationsAquatic Chronic 3
Eye Irrit. 2
Hazardous Substances Data112-31-2(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 3096 mg/kg LD50 dermal Rabbit 4183 mg/kg
MSDS Information
ProviderLanguage
Caprinaldehyde English
ACROS English
SigmaAldrich English
ALFA English
Decyl aldehyde Usage And Synthesis
Chemical Propertiescolourless liquid, an important component of citrus
Chemical PropertiesDecanal is a component of many essential oils (e.g., neroli oil) and various citrus peel oils. It is a colorless liquid with a strong odor, reminiscent of orange peel, which changes to a fresh citrus odor when diluted. Decanal is used in low concentrations in blossom fragrances (especially
Chemical PropertiesDecanal has a penetrating, sweet, waxy, floral, citrus, pronounced fatty odor that develops a floral character on dilution and fatty, citrus-like taste.
OccurrenceAmong the aliphatic aldehydes, it has the largest natural occurrence in a variety of essential oils and extraction products: 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 reported found 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.
UsesDecanal 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.
DefinitionChEBI: A fatty aldehyde formally arising from reduction of the carboxy group of capric acid (decanoic acid).
PreparationIndustrially prepared by oxidation of n-decanol or by reduction of the corresponding acid.
Aroma threshold valuesDetection: 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 valuesTaste characteristics at 10 ppm in 5% sugar and 0.1% CA. Sweet citrus body, orange, waxy and slightly woody 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 DescriptionColorless to light yellow liquid with a pleasant odor. Floats on water. Freezing point in 64°F.
Air & Water ReactionsInsoluble in water.
Reactivity ProfileDecanal 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 HazardOn direct contact can produce eye and skin irritation; low general toxicity.
Flammability and ExplosibilityNon flammable
Chemical ReactivityReactivity 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 1 DECANAL. When heated to decomposition it emits acrid smoke and fumes.
MetabolismSee monograph on aldehyde C-8|.
Tag:Decyl aldehyde(112-31-2) Related Product Information
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