Octanoyl chloride supplier

Name
Octanoyl chloride
EINECS 203-891-6
CAS No. 111-64-8
Article Data18
CAS DataBase
Density 0.961 g/cm³
Solubility Soluble in ether
Melting Point -63 °C
Formula C₈H₁₅ClO
Boiling Point 195.2 °C at 760 mmHg
Molecular Weight 162.66
Flash Point 79.9 °C
Transport Information UN 3265 8/PG 2
Appearance Clear liquid
Safety 26-36/37/39-45-25
Risk Codes 34-22
Molecular Structure
Hazard Symbols C
Synonyms 1-Octanoicacid chloride;Caprylic acid chloride;Capryloyl chloride;Caprylyl chloride;Octanoic acid chloride;n-Octanoyl chloride;BRN 0635917;CCRIS 5990;
PSA 17.07000
LogP 3.11230

Synthetic route

: 124-07-2
Octanoic acid

: 111-64-8
n-octanoic acid chloride

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

: 1984-06-1
sodium caprylate

: 111-64-8
n-octanoic acid chloride

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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 ether	68%
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

: C41H52O13

: 111-64-8
n-octanoic acid chloride

: C49H66O14

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

Octanoyl chloride 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

Product Name

Octanoyl chloride

Synthetic route

Octanoyl chloride Specification

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