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111-64-8

Basic Information
CAS No.: 111-64-8
Name: Octanoyl chloride
Molecular Structure:
Molecular Structure of 111-64-8 (Octanoyl chloride)
Formula: C8H15ClO
Molecular Weight: 162.66
Synonyms: 1-Octanoicacid chloride;Caprylic acid chloride;Capryloyl chloride;Caprylyl chloride;Octanoic acid chloride;n-Octanoyl chloride;BRN 0635917;CCRIS 5990;
EINECS: 203-891-6
Density: 0.961 g/cm3
Melting Point: -63 °C
Boiling Point: 195.2 °C at 760 mmHg
Flash Point: 79.9 °C
Solubility: Soluble in ether
Appearance: Clear liquid
Hazard Symbols: CorrosiveC
Risk Codes: 34-22
Safety: 26-36/37/39-45-25
Transport Information: UN 3265 8/PG 2
PSA: 17.07000
LogP: 3.11230
Synthetic route
124-07-2

Octanoic acid

111-64-8

n-octanoic acid chloride

Conditions
ConditionsYield
With thionyl chloride for 10h; Reflux;95.6%
With phosgene; propionyl chloride at 50℃; for 12h; Reagent/catalyst; Temperature;93.2%
With 1,2,3-Benzotriazole; thionyl chloride In dichloromethane at 20℃; Substitution;92%
50966-31-9

1,1-dichloroethyl ethyl ether

124-07-2

Octanoic acid

111-64-8

n-octanoic acid chloride

6304-39-8

caprylic hydrazide

111-64-8

n-octanoic acid chloride

Conditions
ConditionsYield
With thionyl chloride In chloroform Heating;
79-37-8

oxalyl dichloride

n-caprylic acid

n-caprylic acid

111-64-8

n-octanoic acid chloride

79-37-8

oxalyl dichloride

124-07-2

Octanoic acid

111-64-8

n-octanoic acid chloride

Conditions
ConditionsYield
With N,N-dimethyl-formamide In dichloromethane for 3h; Heating;
In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 2.33333h; Inert atmosphere;
In dichloromethane at 20℃; for 3h; Inert atmosphere;
69151-13-9

C3Cl2(C3H7)2

124-07-2

Octanoic acid

A

877675-72-4

2,3-diisopropylcyclopropenone

B

111-64-8

n-octanoic acid chloride

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere;A 70.7 mg
B n/a
1984-06-1

sodium caprylate

111-64-8

n-octanoic acid chloride

Conditions
ConditionsYield
With thionyl chloride at 50℃; for 1.5h;
188290-36-0

thiophene

111-64-8

n-octanoic acid chloride

30711-41-2

1-(thiophen-2-yl)octan-1-one

Conditions
ConditionsYield
With aluminium trichloride In benzene at 0 - 20℃; Acylation;100%
With tin(IV) chloride; benzene
With carbon disulfide; aluminium trichloride
111-64-8

n-octanoic acid chloride

124-13-0

Octanal

Conditions
ConditionsYield
With methanesulfonic acid; tributylphosphine; copper; zinc In acetonitrile for 1h; Product distribution; Ambient temperature; reactions of other acid chlorides; solvent-effect; effect of var. metals;100%
With tri-n-butyl-tin hydride In 1-methyl-pyrrolidin-2-one at 20℃; Inert atmosphere;96%
With pumice stone; platinum at 195℃; under 80 - 90 Torr; Hydrogenation;
104089-16-9

2-ethoxycarbonyethylzinc iodide

111-64-8

n-octanoic acid chloride

22769-72-8

4-Oxoundecansaeure-ethylester

Conditions
ConditionsYield
tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl acetamide; benzene at 60℃; for 0.5h; various co-solvents;100%
tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl acetamide; benzene at 60℃; for 0.5h;100%
111-64-8

n-octanoic acid chloride

94594-90-8

(2R)-bornane-10,2-sultam

141341-55-1

N-octanoyl-(1S)-(-)-10,2-camphorsultam

Conditions
ConditionsYield
Stage #1: (2R)-bornane-10,2-sultam With sodium hydride In toluene; mineral oil at 0 - 20℃; for 0.5h; Inert atmosphere;
Stage #2: n-octanoic acid chloride In toluene; mineral oil at 0 - 20℃; for 27h; Inert atmosphere;
100%
With dmap; triethylamine In tetrahydrofuran at -5 - 0℃; for 0.5h; Large scale;100%
With dmap; triethylamine In tetrahydrofuran at 0℃; for 1h; Acylation;98.6%
With sodium hydride 1) toluene, rt, 2 h, 2) toluene, rt, 2 h; Yield given. Multistep reaction;
With dmap; triethylamine In tert-butyl methyl ether at 20℃; for 1h;99.7 %Chromat.
2637-34-5

2-Mercaptopyridine

111-64-8

n-octanoic acid chloride

89397-99-9

S-(pyridin-2-yl)octanethioate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; Cooling with ice bath;100%
With TEA In dichloromethane at 0℃;
Stage #1: 2-Sulfanylpyridine With triethylamine In dichloromethane at 0℃;
Stage #2: n-octanoic acid chloride at 20℃; for 1.5h;
111-64-8

n-octanoic acid chloride

7,11,15,28-tetrakis(4-aminophenyl)-1,21,23,25-tetraundecyl 2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxin

7,11,15,28-tetrakis(4-n-octanoylamidophenyl)-1,21,23,25-tetraundecyl 2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxin

Conditions
ConditionsYield
With potassium carbonate In water; ethyl acetate for 2h; Ambient temperature;100%
143-66-8

sodium tetraphenyl borate

111-64-8

n-octanoic acid chloride

1674-37-9

n-octanophenone

Conditions
ConditionsYield
With palladium diacetate; sodium carbonate In acetone at 20℃; for 0.0833333h;100%
With sodium carbonate; palladium diacetate In acetone at 20℃; for 0.0833333h; Suzuki reaction;98%
880-36-4

2-octylthiophene

111-64-8

n-octanoic acid chloride

241806-30-4

2-octanoyl-5-octylthiophene

Conditions
ConditionsYield
With aluminium trichloride In benzene at 0 - 20℃; Acylation;100%
111-64-8

n-octanoic acid chloride

503856-46-0

(2-amino-4-methyl-benzyl)-phosphonic acid diethyl ester

303040-42-8

(4-methyl-2-octanoylamino-benzyl)-phosphonic acid diethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 2.5h;100%
111-64-8

n-octanoic acid chloride

503856-53-9

(6-amino-benzo[1,3]dioxol-5-ylmethyl)-phosphonic acid diethyl ester

303040-44-0

(6-octanoylamino-benzo[1,3]dioxol-5-ylmethyl)-phosphonic acid diethyl ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 2.5h;100%
111-64-8

n-octanoic acid chloride

(R)-2-Amino-2-(3-methoxy-phenyl)-ethanol; hydrochloride

532987-05-6

N-[(1R)-2-hydroxy-1-(3-methoxyphenyl)ethyl]octanamide

Conditions
ConditionsYield
With sodium hydrogencarbonate In 1,4-dioxane at 0℃; for 2h;100%
111-64-8

n-octanoic acid chloride

(1S,2S)-1-amino-1-(3-methoxyphenyl)propan-2-ol hydrochloride

526217-28-7

N-[(1S,2S)-2-hydroxy-1-(3-methoxyphenyl)propyl]octanamide

Conditions
ConditionsYield
With sodium hydrogencarbonate In tetrahydrofuran; 1,4-dioxane at 0℃; for 4h;100%
111-64-8

n-octanoic acid chloride

2450-71-7

Propargylamine

422284-34-2

N-(prop-2-yn-1-yl)octanamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;100%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 2h;99%
With pyridine In diethyl ether68%
With dmap; triethylamine In dichloromethane at 0 - 20℃;66%
With triethylamine In dichloromethane at 0℃; for 1h;
111-64-8

n-octanoic acid chloride

771-26-6

4-hydroxy-2H-1,4-benzoxazin-3-one

4-octanoyloxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions
ConditionsYield
With pyridine at 20℃; for 12h;100%
With pyridine for 12h;99%
111-64-8

n-octanoic acid chloride

69884-06-6

4-hydroxy-6-methoxy-(2H)-1,4-benzoxazin-3(4H)-one

4-octanoyloxy-6-methoxy-(2H)-1,4-benzoxazin-3(4H)-one

Conditions
ConditionsYield
With pyridine at 20℃; for 12h;100%
94594-90-8

(1S)-(-)-2,10-camphorsultam

111-64-8

n-octanoic acid chloride

N-octanoyl-(1S)-(-)-2,10-camphorsultam

Conditions
ConditionsYield
With dmap; triethylamine In tetrahydrofuran at 0℃; for 1h;100%
593-51-1

methylamine hydrochloride

111-64-8

n-octanoic acid chloride

1119-57-9

N-methyloctanoylamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 5℃; for 2.5h;100%
With triethylamine In dichloromethane at 0 - 20℃; for 3h;100%
With triethylamine In dichloromethane at 0 - 20℃; for 3h;100%
627-27-0

homoalylic alcohol

111-64-8

n-octanoic acid chloride

1070316-20-9

but-3-enyl octanoate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 20℃; for 2h; Inert atmosphere;100%
111-64-8

n-octanoic acid chloride

114900-83-3

1-(1H-pyrrol-3-yl)octan-1-one

1314253-27-4

1-(5-octanoyl-1H-pyrrol-3-yl)octan-1-one

Conditions
ConditionsYield
Stage #1: n-octanoic acid chloride With aluminum (III) chloride In 1,2-dichloro-ethane at 25℃; for 0.166667h; Inert atmosphere;
Stage #2: 1-(1H-pyrrol-3-yl)octan-1-one In 1,2-dichloro-ethane at 25℃; for 2h; Inert atmosphere; regioselective reaction;
100%
103-67-3

benzyl-methyl-amine

111-64-8

n-octanoic acid chloride

1315320-39-8

N-benzyl-N-methyloctanamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;100%

C41H52O13

111-64-8

n-octanoic acid chloride

C49H66O14

Conditions
ConditionsYield
With pyridine; dmap In dichloromethane at 20℃; for 20h;100%
54615-17-7

O-methyl-N-(4-nitrobenzyl)hydroxylamine

111-64-8

n-octanoic acid chloride

N-methoxy-N-(4-nitrobenzyl)octanamide

Conditions
ConditionsYield
With pyridine In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;100%
With pyridine In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;100%

2,3:4,5-di-O-isopropylidene-1-methoxymethyl-d-galactitol-6-yl 4,6-O-benzylidene-3-O-benzyl-β-D-mannopyranoside

111-64-8

n-octanoic acid chloride

2,3:4,5-di-O-isopropylidene-1-methoxymethyl-D-galactitol-6-yl 4,6-O-benzylidene-3-O-benzyl-2-O-octanoyl-β-D-mannopyranoside

Conditions
ConditionsYield
With pyridine; dmap In dichloromethane at 20℃; for 20h;100%
24566-81-2

4-bromo-n-butan-1-amine hydrobromide

111-64-8

n-octanoic acid chloride

1619235-29-8

N-(4-bromobutyl)octanamide

Conditions
ConditionsYield
Stage #1: 4-bromo-n-butan-1-amine hydrobromide With sodium carbonate In dichloromethane; water at 0℃; for 0.0833333h; Inert atmosphere;
Stage #2: n-octanoic acid chloride In dichloromethane; water at 0 - 20℃; for 4h; Inert atmosphere;
100%
14502-76-2

6-bromo-1-aminohexane hydrobromide

111-64-8

n-octanoic acid chloride

1619235-33-4

N-(6-bromohexyl)octanamide

Conditions
ConditionsYield
Stage #1: 6-bromo-1-aminohexane hydrobromide With sodium carbonate In dichloromethane; water at 0℃; for 0.0833333h; Inert atmosphere;
Stage #2: n-octanoic acid chloride In dichloromethane; water at 0 - 20℃; for 4h; Inert atmosphere;
100%
5003-71-4

3-bromopropylamine hydrochloride

111-64-8

n-octanoic acid chloride

1152510-70-7

N-(3-bromopropyl)octanamide

Conditions
ConditionsYield
Stage #1: 3-bromopropylamine hydrochloride With sodium carbonate In dichloromethane; water at 0℃; for 0.0833333h; Inert atmosphere;
Stage #2: n-octanoic acid chloride In dichloromethane; water at 0 - 20℃; for 4h; Inert atmosphere;
100%
543731-34-6

4-((methoxyamino)methyl)benzonitrile

111-64-8

n-octanoic acid chloride

N-(4-cyanobenzyl)-N-methoxyoctanamide

Conditions
ConditionsYield
With pyridine In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere;100%

1,2:3,4-di-O-isopropylidene-D-arabinitol-5-yl 3-O-benzyl-4,6-O-benzylidene-β-D-mannopyranoside

111-64-8

n-octanoic acid chloride

1,2:3,4-di-O-isopropylidene-D-arabinitol-5-yl 3-O-benzyl-4,6-O-benzylidene-2-O-octanoyl-β-D-mannopyranoside

Conditions
ConditionsYield
With pyridine; dmap In dichloromethane at 20℃; for 7h;100%
506-13-8

16-hydroxyhexadecanoic acid

111-64-8

n-octanoic acid chloride

16-(octanoyloxy)hexadecanoic acid

Conditions
ConditionsYield
In chloroform for 4h; Reflux;100%
In chloroform at 70℃; for 4h;100%
111-64-8

n-octanoic acid chloride

845821-10-5

[3-(3-hydroxypropylamino)propyl]carbamic acid tert-butyl ester

tert-butyl (3-(N-(3-hydroxypropyl)octanamido)propyl)carbamate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 5 - 20℃; for 3.58333h;100%
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    Octanoyl chloride

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    Octanoyl chloride

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    Product: octanoyl chloride Molecular formula: C7H15COCl Molecular weight: 162.66 CAS No.: 111-64-8 Property: The product is light yellow transparent fuming liquid. Proportion: 0.953, boiling point:195-196℃, refractive index:1.4350,flash point:

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  • CAS NO.111-64-8 Octanoyl chloride

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    CAS NO.111-64-8 Octanoyl chloride

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  • Octanoyl chloride CAS NO.111-64-8

  • Casno:

    111-64-8

    MSDS/COA Download

    Octanoyl chloride CAS NO.111-64-8

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    Octanoyl Chloride

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Specification

The Octanoyl chloride with CAS registry number of 111-64-8 is also known as Caprylic acid chloride. The IUPAC name and product name are the same. It belongs to product categories of Acid Chlorides. Its EINECS registry number is 203-891-6. In addition, the formula is C8H15ClO and the molecular weight is 162.66. This chemical is a clear liquid ang should be sealed in ventilated, cool and dry place away from fire and heat.

Physical properties about Octanoyl chloride are: (1)ACD/LogP: 3.65; (2)ACD/LogD (pH 5.5): 3.65; (3)ACD/LogD (pH 7.4): 3.65; (4)ACD/BCF (pH 5.5): 347.1; (5)ACD/BCF (pH 7.4): 347.1; (6)ACD/KOC (pH 5.5): 2291.2; (7)ACD/KOC (pH 7.4): 2291.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.433; (11)Molar Refractivity: 43.99 cm3; (12)Molar Volume: 169 cm3; (13)Surface Tension: 29.4 dyne/cm; (14)Density: 0.961 g/cm3; (15)Flash Point: 79.9 °C; (16)Enthalpy of Vaporization: 43.14 kJ/mol; (17)Boiling Point: 195.2 °C at 760 mmHg; (18)Vapour Pressure: 0.426 mmHg at 25 °C.

Preparation of Octanoyl chloride: it is prepared by reaction of octanoic acid. The reaction needs reagents SOCl2, benzotriazole and solvent CH2Cl2 at the temperature of 20 °C. The yield is about 92%.

Octanoyl chloride is prepared by reaction of octanoic acid.

Uses of Octanoyl chloride: it is used to produce 1-phenyl-octan-1-one by reaction with benzene. The reaction occurs with reagent SbF5 intercalated in graphite at 80 °C for 6 hours. The yield is about 40%.

Octanoyl chloride is used to produce 1-phenyl-octan-1-one by reaction with benzene.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCCCC(=O)Cl
2. InChI: InChI=1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
3. InChIKey: REEZZSHJLXOIHL-UHFFFAOYSA-N