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334-48-5

Basic Information
CAS No.: 334-48-5
Name: Decanoic acid
Article Data: 253
Cas Database
Molecular Structure:
Molecular Structure of 334-48-5 (Decanoic acid)
Formula: C10H20O2
Molecular Weight: 172.268
Synonyms: FEMA No. 2364;Caprine acid;Kaprinsaeure;Emery 659;Neo-fat 10;n-Decanoic acid;n-Decoic acid;Caprynic acid;1-Nonanecarboxylic acid;Lunac 10-95;Decylic acid;C10;Estr-4-en-3-one,17-[(1-oxodecyl)oxy]-,(17a)-;Prifac 2906;Decanoic acid (natural);Hexacid 1095;Caprinic acid;C10 fatty acid;Decanoate;Decanoic Acid , Natural;NAA 102;Dekansaeure;Fatty acid(C10);n-Decylic acid;Prifac 296;
EINECS: 206-376-4
Density: 0.915 g/cm3
Melting Point: 27-32 °C(lit.)
Boiling Point: 269.6 °C at 760 mmHg
Flash Point: 121.8 °C
Solubility: 0.15 g/L (20 °C) in water
Appearance: white crystals with an unpleasant odour
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-36/38
Safety: 26-36-37/39
Transport Information: N/A
PSA: 37.30000
LogP: 3.21170
Synthetic route
112-31-2

caprinaldehyde

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 4h; Heating;100%
With palladium 10% on activated carbon; water; sodium hydroxide at 80℃; under 600.06 Torr; for 6h;99%
With dihydrogen peroxide In acetic acid at 90℃; for 7h;97%

1,5-bis(perfluorooctyl)-3-methylpentan-3-yl decanoate

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With trifluoroacetic acid for 15h; Product distribution;100%

triisopropylsiloxymethyl decanoate

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With lithium hydroxide In tetrahydrofuran; water at 20℃; Inert atmosphere;100%
4224-70-8

6-bromohexanoic acid

693-04-9

butyl magnesium bromide

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With 1-methyl-pyrrolidin-2-one; buta-1,3-diene; nickel dichloride In tetrahydrofuran at -78 - 0℃; for 1h; Inert atmosphere;99%

δ-furfurylidenelevulinic acid

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 180℃; under 15001.5 Torr; for 10h; Reagent/catalyst; Temperature; Pressure; Autoclave;99%
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 180℃; under 22801.5 Torr; Pressure; Temperature; Reagent/catalyst;95%
13372-74-2

n-decanal oxime

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With [hydroxy(tosyloxy)iodo]benzene; water In dimethyl sulfoxide at 20℃; for 24h;99%
764-93-2

1-decyne

334-48-5

1-decanoic acid

Conditions
ConditionsYield
Stage #1: 1-decyne With 1-methyl-pyrrolidin-2-one; C17H11ClF6N2Ru(1+) In water at 25℃; for 24h; Inert atmosphere;
Stage #2: With [bis(acetoxy)iodo]benzene at 25℃; for 1h;
98%

δ-furfurylidenelevulinic acid methyl ester

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With aluminium(III) triflate; 5%-palladium/activated carbon; hydrogen; acetic acid at 180℃; under 15201 Torr;98%
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Reagent/catalyst; Pressure; Temperature; Autoclave;94%
With palladium on activated charcoal; W(OTf)6; hydrogen; acetic acid at 180℃; under 22502.3 Torr; for 10h; Autoclave;94%

Decanoic acid, tert-butyldimethylsilyl ester

334-48-5

1-decanoic acid

Conditions
ConditionsYield
Stage #1: Decanoic acid, tert-butyldimethylsilyl ester; carbon tetrabromide In ethanol at 20℃; for 0.5h; Irradiation;
Stage #2: In ethanol at 20℃; for 1h;
97%
112-30-1

1-Decanol

334-48-5

1-decanoic acid

Conditions
ConditionsYield
With 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In water; acetonitrile at 20℃;95%
With [bis(acetoxy)iodo]benzene; iodine In acetonitrile at 20℃; for 2h;94%
With Cu(II)-complex of salen-H4; dihydrogen peroxide In acetonitrile at 80℃; for 8h;93%
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    Decanoic acid Chemical Properties Melting point 27-32 °C(lit.) Boiling point 268-270 °C(lit.) density 0.893 g/mL at 25 °C(lit.) vapor pressure 15 mm Hg ( 160 °C)

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Chemistry

IUPAC Name: Decanoic acid
Synonyms of Decanoic acid (CAS NO.334-48-5): 1-Nonanecarboxylic acid ; Capric acid ; Caprinic acid ; Econosan Acid Sanitizer ; n-Decanoic acid
CAS NO: 334-48-5
Molecular Formula:C10H20O2
Molecular Weight:172.27
Molecular Structure:
EINECS:206-376-4
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.443
Molar Refractivity: 49.94 cm3
Molar Volume: 188.2 cm3
Surface Tension: 33.1 dyne/cm
Density: 0.915 g/cm3
Flash Point: 121.8 °C
Enthalpy of Vaporization: 53.63 kJ/mol
Boiling Point: 269.6 °C at 760 mmHg
Vapour Pressure: 0.00355 mmHg at 25°C 
Melting Point: 27-32 °C(lit.)
Solubility: Insoluble (soluble in alcohol and ether)
Appearance: white crystals
Stability: Stable. Incompatible with bases, reducing agents, oxidizing agents 
Product Categories of Decanoic acid (CAS NO.334-48-5): Pharmaceutical Intermediates;Alkylcarboxylic Acids;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes

Uses

 Decanoic acid (CAS NO.334-48-5) is used in organic synthesis and industrially in the manufacture of perfumes, lubricants, greases, rubber, dyes, plastics, food additives and pharmaceuticals.

Production

Production of Decanoic acid (CAS NO.334-48-5):
 Capric acid occurs naturally in coconut oil and palm kernel oil, as well as in the milk of various mammals and to a lesser extent in other animal fats. Decanoic acid can be prepared from oxidation of primary alcohol decanol, by using chromium trioxide (CrO3) oxidant under acidic conditions in an acetone solvent. This will give decanoic acid in up to 93% yield.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 129mg/kg (129mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
rat LD50 oral > 10gm/kg (10000mg/kg)   American Industrial Hygiene Association Journal. Vol. 37, Pg. 251, 1976.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information about Decanoic acid (CAS NO.334-48-5):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
WGK Germany: 1
RTECS: HD9100000
Hazard Note: Irritant
HS Code: 29159080
Poison by intravenous route. Mutation data reported. A moderate skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.