Conditions | Yield |
---|---|
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-decanoic acid
Conditions | Yield |
---|---|
With trifluoroacetic acid for 15h; Product distribution; | 100% |
1-decanoic acid
Conditions | Yield |
---|---|
With lithium hydroxide In tetrahydrofuran; water at 20℃; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With 1-methyl-pyrrolidin-2-one; buta-1,3-diene; nickel dichloride In tetrahydrofuran at -78 - 0℃; for 1h; Inert atmosphere; | 99% |
1-decanoic acid
Conditions | Yield |
---|---|
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% |
n-decanal oxime
1-decanoic acid
Conditions | Yield |
---|---|
With [hydroxy(tosyloxy)iodo]benzene; water In dimethyl sulfoxide at 20℃; for 24h; | 99% |
Conditions | Yield |
---|---|
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% |
1-decanoic acid
Conditions | Yield |
---|---|
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% |
1-decanoic acid
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With sodium hypochlorite; lithium hypochlorite In ethanol at 77℃; for 4h; | 94% |
With sodium hypobromide |
Caprinsaeure-4-methoxybenzylester
A
1-decanoic acid
B
tri(p-bromophenyl)amine
C
4-methoxy-benzaldehyde
Conditions | Yield |
---|---|
With 2,6-dimethylpyridine; 2a(1+)(.) In water; acetonitrile oxidative electrolysis; Yield given; | A 93% B n/a C n/a |
Conditions | Yield |
---|---|
With formic acid; triethylamine at 100℃; Knoevenagel condensation; | 93% |
1-decanoic acid
Conditions | Yield |
---|---|
With ammonium chloride; zinc In ethanol for 0.25h; Heating; | 92% |
Conditions | Yield |
---|---|
With potassium hydroxide; polystyrene-CH2=O(CH2CH2O)6.4H copolymer at 25℃; for 17h; | 91% |
With potassium hydroxide; polystyrene-CH2=O(CH2CH2O)6.4H at 25℃; for 17h; Product distribution; various esters, saponification, different poly(ethylene glycol)s grafted copolymers; | 91% |
With Rhodococcus sp. LKE-028 esterase at 70℃; pH=11; aq. buffer; Enzymatic reaction; |
Conditions | Yield |
---|---|
Stage #1: 1-undecene With ozone In water; acetonitrile at 0℃; Inert atmosphere; Stage #2: With sodium chlorite In water; acetonitrile at 15 - 20℃; under 760.051 Torr; Inert atmosphere; Stage #3: With sodium hydrogen sulfate In water; acetonitrile at 35℃; for 0.166667h; Inert atmosphere; | 91% |
Decanoic acid benzhydryl ester
A
benzophenone
B
1-decanoic acid
C
4-bromo-N,N-bis(4-nitrophenyl)benzeneamine
Conditions | Yield |
---|---|
With 2c (1+)(.); sodium hydrogencarbonate In water; acetonitrile oxidative electrolysis; Yield given; | A n/a B 90% C n/a |
Conditions | Yield |
---|---|
With dipyridinium dichromate In N,N-dimethyl-formamide for 20h; Ambient temperature; | A n/a B 87% |
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; bis(1,5-cyclooctadiene)nickel (0); zinc In N,N-dimethyl acetamide at 80℃; for 12h; | 87% |
Decanoic acid 2,4-dimethoxy-benzyl ester
A
1-decanoic acid
B
tri(p-bromophenyl)amine
C
2,4-Dimethoxybenzaldehyde
Conditions | Yield |
---|---|
With 2,6-dimethylpyridine; 2a-radical-kation In water; acetonitrile oxidative electrolysis; Yield given; | A 86% B n/a C n/a |
Conditions | Yield |
---|---|
With water; difluoro[4-(trifluoromethyl)phenyl]-λ3-bromane In dichloromethane at 0℃; for 1h; Baeyer-Villiger type oxidation; Inert atmosphere; | A 6 %Chromat. B 80% |
With water; difluoro[4-(trifluoromethyl)phenyl]-λ3-bromane In acetonitrile at 0℃; for 1h; Baeyer-Villiger type oxidation; Inert atmosphere; | A 69 %Chromat. B 27 %Chromat. |
Conditions | Yield |
---|---|
With sodium periodate; cetyltributylphosphonium bromide In chloroform; water for 8h; Heating; | A 78% B 20 % Chromat. |
Conditions | Yield |
---|---|
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxone; potassium bromide; methyltrioxorhenium(VII) In acetonitrile at 0℃; for 4h; | A 78% B 6% |
With palladium 10% on activated carbon; water; sodium hydroxide at 80℃; under 600.06 Torr; for 6h; | A 6% B 60% |
With 10% Ru/C; water; oxygen In toluene at 90℃; under 760.051 Torr; for 24h; | A 14% B 59% |
tridecane-2,4-dione
1-decanoic acid
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate In acetonitrile at 20℃; for 4h; | 75% |
With iodine; oxygen In ethyl acetate for 10h; Mercury lamp irradiation; | 61% |
Conditions | Yield |
---|---|
With oxygen; cobalt(II) acetate; manganese(II) acetate In acetic acid at 130℃; for 5h; | 74% |
C19H40O2Si
1-decanoic acid
Conditions | Yield |
---|---|
Stage #1: C19H40O2Si; carbon tetrabromide In ethanol at 20℃; for 0.5h; Irradiation; Stage #2: In ethanol at 20℃; for 4h; | 73% |
Conditions | Yield |
---|---|
With 10% Pt/activated carbon; oxygen In water at 80℃; for 6h; Green chemistry; chemoselective reaction; | A 14% B 72% |
non-1-ene
carbon monoxide
A
2-methylnonanoic acid
B
1-decanoic acid
Conditions | Yield |
---|---|
With water; triphenylphosphine; tin(ll) chloride; palladium dichloride In acetone at 90℃; under 18240 Torr; for 6h; | A 15% B 71% |
With water; triphenylphosphine; palladium dichloride In acetone at 90℃; under 9880 Torr; for 6h; Product distribution; further reagent, further pressure, further amounts of reagents, selectivity; | A 16% B 66% |
bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine In 1,4-dioxane at 95℃; under 15200 Torr; for 4h; Product distribution; Rate constant; other catalyst; |
dichloromethane
1-Decanol
A
1-decanoic acid
B
Methylendidecanoat
C
decanoyloxymethyl chloride
Conditions | Yield |
---|---|
With benzyl(triethyl)ammoniumpermanganate | A 15% B 71% C 13% |
oct-1-ene
bromoacetic acid
A
5-hexyldihydro-2(3H)-furanone
B
1-decanoic acid
Conditions | Yield |
---|---|
With dibenzoyl peroxide In benzene for 5h; Heating; | A 68% B 6.5% |
With dibenzoyl peroxide In benzene for 5h; Heating; other olefins; | A 68% B 6.5% |
With dibenzoyl peroxide In benzene for 5h; Mechanism; Heating; other α-bromocarboxylic acids; | A 68% B 6.5% |
Conditions | Yield |
---|---|
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; for 4h; | 100% |
With Amberlite IRA 93 (PCl5 form) In 1,2-dichloro-ethane for 2h; Heating; | 86% |
With phosphorus trichloride at 60 - 100℃; |
1-decanoic acid
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol
(2,2-dimethyl-1,3-dioxolane-4-yl)methyl caprate
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide Esterification; | 100% |
With dmap; dicyclohexyl-carbodiimide In diethyl ether at 20 - 25℃; for 4.5h; Esterification; | |
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h; |
1,3-dioxan-5-yl 4-methylbenzene-1-sulfonate
1-decanoic acid
decanoic acid 3-hydroxy-2-(toluene-4-sulfonyloxy)-propyl ester
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; trifluoroacetic anhydride In tetrahydrofuran at 20℃; for 2h; acylolysis; | 100% |
1-decanoic acid
Conditions | Yield |
---|---|
With camphor sulphuric acid for 18h; Heating; | 100% |
Conditions | Yield |
---|---|
With zirconium(IV) oxychloride In 1,3,5-trimethyl-benzene at 162℃; for 24h; | 100% |
With choline chloride; zinc(II) chloride at 110℃; for 6h; | 99% |
ZrOCl2 hydrate In 1,3,5-trimethyl-benzene at 165℃; for 24h; Product distribution / selectivity; | 100 %Chromat. |
HfOCl2 hydrate In 1,3,5-trimethyl-benzene at 165℃; for 24h; Product distribution / selectivity; | 99.2 %Chromat. |
ZrOCl2/ZrO2 catalyst In 1,3,5-trimethyl-benzene at 165℃; for 24h; Product distribution / selectivity; | 56 %Chromat. |
Conditions | Yield |
---|---|
With Bu4NHSO4; sodium hydrogencarbonate In CH2Cl2:H2O | 100% |
1-decanoic acid
cholinium hydrogen carbonate
(2-hydroxyethyl)trimethylammonium decanoate
Conditions | Yield |
---|---|
In water at 20℃; | 100% |
In water at 20℃; |
1-decanoic acid
pregabilin
(S)-3-(aminomethyl)-5-methylhexanoic acid caprate
Conditions | Yield |
---|---|
In tert-butyl methyl ether for 0.75h; | 100% |
cycl-isopropylidene malonate
1-decanoic acid
5-decanoyl-6-hydroxy-2,2-dimethyl-4H-1,3-dioxin-4-one
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 7h; | 100% |
With dmap; triethylamine; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; Inert atmosphere; | 65% |
Conditions | Yield |
---|---|
Stage #1: Nα-Fmoc-Nδ-(acetyl)-Nδ-(benzoyloxy)-L-ornithine With N-ethyl-N,N-diisopropylamine In dichloromethane for 1h; Stage #2: 1-decanoic acid; Fmoc-Ser(tBu)-OH; Fmoc-Orn(Boc)-OH With piperidine In N,N-dimethyl-formamide Further stages; | 100% |
1-decanoic acid
Conditions | Yield |
---|---|
With ammonium hydroxide pH=8; | 100% |
1-decanoic acid
(+)-O-Demethyltramadol
(+)-(1R,2R)-3-[2-(dimethylamino)-methyl-1-hydroxycyclohexyl]phenol decanoate
Conditions | Yield |
---|---|
In pentane at 20 - 30℃; for 24.5h; Product distribution / selectivity; | 99.2% |
Conditions | Yield |
---|---|
With tetrachloromethane at 20℃; for 12h; UV-irradiation; | 99% |
With Mesoscopically Assembled SulfatedZirconia Nanoparticles at 49.84℃; for 8h; Catalytic behavior; Reagent/catalyst; Temperature; | 97% |
With sulfuric acid; acetonitrile at 80 - 85℃; for 16 - 18h; | 97% |
Conditions | Yield |
---|---|
With Bromotrichloromethane; 4-(diphenylphosphino)-benzyltrimethylammonium bromide; triethylamine In tetrahydrofuran at 60℃; for 6h; Inert atmosphere; | 99% |
With 4-methyl-morpholine; C14H12Cl2N4O3 In dichloromethane for 2h; | 93% |
at 150℃; for 0.5h; microwave irradiation; | 85% |
With 2,6-lutidinium perchlorate; triphenylphosphine In dichloromethane at 40℃; for 6.5h; constant-current electrolysis; | 61% |
Stage #1: benzylamine With Sphingomonas sp. HXN-200 lipase expressed in Escherichia coli cells In hexane; water at 30℃; for 0.0833333h; Enzymatic reaction; Stage #2: 1-decanoic acid In hexane; water at 30℃; for 8h; Enzymatic reaction; | 55% |
Conditions | Yield |
---|---|
With piperidine; silica gel In methanol; acetonitrile Kolbe electrolytic synthesis; Electrolysis; cooling; | 99% |
With potassium hydroxide In methanol at 20℃; for 0.166667h; pH=6; Kolbe Electrolysis; |
Conditions | Yield |
---|---|
With iron(III) chloride hexahydrate In 1,3,5-trimethyl-benzene for 12h; Reflux; | 99% |
Conditions | Yield |
---|---|
With iron(III) chloride hexahydrate In 1,3,5-trimethyl-benzene for 12h; Reflux; | 99% |
2,3,4,6-Tetra-O-benzyl-D-glucopyranose
1-decanoic acid
Conditions | Yield |
---|---|
With (R)-(+)-2-phenyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole; 2,2-dimethylpropanoic anhydride; N-ethyl-N,N-diisopropylamine In chloroform at 20℃; for 24h; Inert atmosphere; diastereoselective reaction; | A 99% B n/a |
Conditions | Yield |
---|---|
With nano sulfated-TiO2 In neat (no solvent) at 80℃; under 760.051 Torr; for 1.5h; | 98% |
In n-heptane at 25℃; for 4h; Chromobacterium viscosum (CV) lipase immobilised in MBGs (microemulsion-based gels); | 93% |
With toluene-4-sulfonic acid | |
With hydrogenchloride |
Conditions | Yield |
---|---|
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h; | 98% |
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 3h; Inert atmosphere; | 98% |
With hydrogen In hexane at 250℃; under 30003 Torr; for 3h; | 96.3% |
Conditions | Yield |
---|---|
With niobium(V) oxide In o-xylene for 30h; Reflux; Inert atmosphere; | 98% |
With Titania nano-particle at 110℃; for 0.5h; | 95% |
Heating; | 84% |
Conditions | Yield |
---|---|
With nano sulfated-TiO2 In neat (no solvent) at 80℃; under 760.051 Torr; for 1.5h; | 98% |
With acid activated Indian bentonite In toluene for 8h; Heating; | 85% |
With sulfuric acid Reflux; | 66.3% |
1-hydroxy-pyrrolidine-2,5-dione
1-decanoic acid
N-decanoyloxysuccinimide
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In ethyl acetate for 6h; | 98% |
Stage #1: 1-decanoic acid With bis(trichloromethyl) carbonate; triethylamine In dichloromethane at 0℃; Stage #2: 1-hydroxy-pyrrolidine-2,5-dione In dichloromethane at 20℃; for 0.5h; | 93% |
With dicyclohexyl-carbodiimide In tetrahydrofuran for 3h; | 87% |
1-decanoic acid
6-(bromoacetyl)amino-2,3-dimorpholinoquinoxaline
Conditions | Yield |
---|---|
With 18-crown-6 ether; potassium hydrogencarbonate In acetonitrile for 0.833333h; Ambient temperature; | 98% |
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
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 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.
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. |
Reported in EPA TSCA Inventory.
Safety Information about Decanoic acid (CAS NO.334-48-5):
Hazard Codes: Xi
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.
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.
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