1-Octanol supplier | CasNO.111-87-5

Name
1-Octanol
EINECS 203-917-6
CAS No. 111-87-5
Article Data747
CAS DataBase
Density 0.824 g/cm³
Solubility insoluble in water
Melting Point -15 °C(lit.)
Formula C₈H₁₈O
Boiling Point 194.665 °C at 760 mmHg
Molecular Weight 130.23
Flash Point 81.111 °C
Transport Information
Appearance colourless liquid
Safety 26-36/37-37/39
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms Caprylic alcohol;n-Octanol;n-Octyl alcohol;1-Hydroxyoctane;AI3-02169;Alcohol C-8;Alfol 8;C8 alcohol;CCRIS 9099;Caprylic alcohol;
PSA 20.23000
LogP 2.33920

Synthetic route

: 123-39-7
N-Methylformamide

A: 111-87-5
octanol

B: 629-82-3
di-n-octyl ether

C: 112-32-3
octyl formate

D: N-methylmethanimidamide hydroiodide

Conditions

Conditions	Yield
With 1-Iodooctane at 146℃;	A n/a B n/a C n/a D 100%

...Expand

: 123-39-7
N-Methylformamide

A: 111-87-5
octanol

B: 629-82-3
di-n-octyl ether

C: 112-32-3
octyl formate

D: N-methylmethanimidamide hydrobromide

Conditions

Conditions	Yield
With 1-bromo-octane at 146℃;	A n/a B n/a C n/a D 100%

...Expand

: 52767-49-4
2-(octyloxy)-tetrahydrofuran

: 111-87-5
octanol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In ethanol for 1h; Ambient temperature;	100%

: 111-66-0
oct-1-ene

: 75067-06-0
thexylchloroborane * dimethylsulfide

A: 111-87-5
octanol

B: 4128-31-8
rac-octan-2-ol

C: 594-60-5
2,3-dimethylbutan-2-ol

Conditions

Conditions	Yield
With methanol; dihydrogen peroxide Product distribution; different solvents; other olefins;	A 99.2% B 0.8% C 100%

...Expand

: 14246-16-3
trimethyl(oct-1-yloxy)silane

: 111-87-5
octanol

Conditions

Conditions	Yield
With dinitrogen tetraoxide In dichloromethane at -10℃; deprotection;	100%
With water; 1,1,1,3,3,3-hexamethyl-disilazane In dichloromethane at 20℃; for 0.483333h;	100%
With polymer-supported ammonium fluoride: D296 In methanol at 20℃; for 2h;	98%

: 124-13-0
Octanal

: 111-87-5
octanol

Conditions

Conditions	Yield
With hydrogen; Et4N In 1,2-dimethoxyethane at 100℃; under 38000 Torr; for 13h;	100%
With zirconium(IV) tetraisopropoxide 2-propanol; 4 Angstroem MS; 1,1'-bi-2-naphthol In isopropyl alcohol; toluene at 20℃; for 18h;	100%
With zirconium(IV) tetraisopropoxide 2-propanol; 1,1'-bi-2-naphthol In toluene at 20℃; for 1h;	100%

: 99478-15-6
1-Chloroethyl n-Octyl Crbonate

: ammonium thiocyanate

A: 111-87-5
octanol

B: 109548-51-8
n-octyl 1-thiocyanoethylcarbonate

Conditions

Conditions	Yield
In methanol for 27h; Ambient temperature;	A 22% B 100%

...Expand

: 253588-34-0
2-methyl-4-(octyloxy)but-2-ene

: 111-87-5
octanol

Conditions

Conditions	Yield
With titanium tetrachloride; tetra-(n-butyl)ammonium iodide In dichloromethane at 0℃; for 2h; deprenylation;	100%
With 1.3-propanedithiol; cerium(III) chloride; sodium iodide In nitromethane for 10h; Heating;	17%

: tert-Butyl-octyloxy-diphenyl-silane

: 111-87-5
octanol

Conditions

Conditions	Yield
With water at 100℃; for 24h; Kinetics; Reagent/catalyst; Inert atmosphere;	100%
With acetyl chloride In methanol at 20℃; for 2h;	97%
With zinc trifluoromethanesulfonate In methanol at 0 - 20℃; for 2h; chemoselective reaction;	88%

: 51323-70-7
tert-butyl octyl ether

: 111-87-5
octanol

Conditions

Conditions	Yield
With sodium iodide; cerium(III) chloride In acetonitrile at 70℃; for 3.5h; Kinetics; Further Variations:; Temperatures; effect of water;	100%
With cerium(III) chloride; sodium iodide In acetonitrile at 70℃; for 8h;	94%
With magnesium(II) perchlorate In dichloromethane at 40℃; for 5h;
With erbium(III) triflate In methanol at 100℃; for 0.75h; Microwave irradiation;

: 70690-19-6
2-octyloxy-tetrahydro-pyran

: 111-87-5
octanol

Conditions

Conditions	Yield
With methanol; zirconium(IV) chloride at 20℃; for 4h;	99%
silica-supported prop-1-ylsulfonic acid In methanol	99.7%
With methanol at 20℃; for 0.5h;	99%

: 124-07-2
Octanoic acid

: 111-87-5
octanol

Conditions

Conditions	Yield
With samarium diiodide; heptanal; samarium(III) trifluoromethanesulfonate In tetrahydrofuran; methanol; potassium hydroxide at 20℃; for 0.075h; Reduction;	99%
With 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate) In toluene at 80℃; for 16h; sealed tube;	91%
With hydrogen In neat (no solvent) at 180℃; under 37503.8 Torr; for 12h;	91%

: 111-11-5
methyl octanate

: 111-87-5
octanol

Conditions

Conditions	Yield
With C32H36ClNO2P2Ru; potassium tert-butylate; hydrogen In neat (no solvent) at 120℃; under 38002.6 Torr; for 20h; Autoclave; Green chemistry;	99%
With [RuCl2((E)-N-(2-(diphenylphosphino)benzyl)-1-(6-((diphenylphosphino)methyl)pyridin-2-yl)methanimine)]; hydrogen; sodium ethanolate at 80℃; under 37503.8 Torr; for 12h; Autoclave;	99%
With lithium borohydride In tetrahydrofuran at 65℃; for 2h;	98%

: octyl tetrahydrofuran-2-carboxylate

: 111-87-5
octanol

Conditions

Conditions	Yield
With ytterbium(III) triflate In methanol for 4h; Ambient temperature;	99%

: 54384-75-7
1-methoxy-4-octyloxymethyl benzene

: 111-87-5
octanol

Conditions

Conditions	Yield
With silver hexafluoroantimonate; 1,2,3-trimethoxybenzene In dichloromethane at 40℃; for 7h;	99%
With 4,4'-bipyridine; (phthalocyaninato)iron(II); oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In toluene at 80℃; under 3000.3 Torr; for 14h; Autoclave;	90%
Stage #1: 1-methoxy-4-octyloxymethyl benzene With sodium hydrogencarbonate; bis-[(trifluoroacetoxy)iodo]benzene; meso-2,5-bis(methoxycarbonyl)-2,5-dimethylpyrrolidine-1-oxyl In dichloromethane at 20℃; for 2h; Stage #2: With water In dichloromethane chemoselective reaction;	90%

: 2548-87-0, 20664-46-4, 2363-89-5
2-octen-1-al

: 111-87-5
octanol

Conditions

Conditions	Yield
With acetylacetonatodicarbonylrhodium(l); trifluorormethanesulfonic acid; carbon monoxide; N-(5-diphenylphosphanylpyrrole-2-carbonyl)guanidine; hydrogen In dichloromethane at 40℃; under 15001.5 Torr; for 7h; Autoclave; chemoselective reaction;	99%

: 111-66-0
oct-1-ene

A: 111-87-5
octanol

B: 4128-31-8
rac-octan-2-ol

Conditions

Conditions	Yield
With oxonium; oxygen; diisobutyl(2,6-di-tert-butyl-4- methylphenoxy)aluminum Product distribution; regioselectivity of hydroalumination;	A 98% B n/a
Stage #1: oct-1-ene With 1-bromo-butane; sodium tetrahydroborate; Aliquat 336 at 20℃; for 16h; Addition; Hydroboration; Stage #2: With sodium hydroxide; dihydrogen peroxide at 40℃; for 1h; Oxidation;	A 88% B 6%
With sodium tetrahydroborate; oxygen; (2,3,7,8,12,13,17,18-octaethylporphyrinato)rhodium(III) chloride In tetrahydrofuran Ambient temperature; 48-130 h; Yield given;

: 92976-53-9
tert-Butyl-dimethyl-octyloxy-silane

: 111-87-5
octanol

Conditions

Conditions	Yield
With acetyl chloride In methanol at 0 - 5℃; for 0.0833333h;	98%
With maleic acid In water; acetonitrile at 20℃; for 2h;	98%
With potassium hydrogensulfate In methanol at 20℃; for 1.5h;	96%

: 88738-43-6
methoxymethyl octyl ether

: 111-87-5
octanol

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In butanone for 7.25h; Heating;	97%
phosphotungstic acid In ethanol for 3.5h; Heating;	92%
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.0333333h; Microwave irradiation; chemoselective reaction;	91%
With bismuth(III) chloride; water In acetonitrile at 50℃; for 8h;	84%

: 88738-42-5
(2-Methoxyethoxy)methyl octyl ether

: 111-87-5
octanol

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In butanone for 8.5h; Heating;	97%

: 89363-63-3
S-sec-butyl caprylthioate

: 111-87-5
octanol

Conditions

Conditions	Yield
With Li(1+)*C12H28AlO3(1-) In tetrahydrofuran; hexane for 0.5h; Ambient temperature;	97%

: 106-32-1
octanoic acid ethyl ester

: 111-87-5
octanol

Conditions

Conditions	Yield
With C30H34Cl2N2P2Ru; potassium methanolate; hydrogen In tetrahydrofuran at 100℃; under 38002.6 - 76005.1 Torr; for 15h; Reagent/catalyst; Temperature; Pressure; Glovebox; Autoclave;	96%
Stage #1: octanoic acid ethyl ester With C33H58FeN3PSi2; phenylsilane In toluene at 20℃; for 4h; Inert atmosphere; Glovebox; Green chemistry; Stage #2: With sodium hydroxide In toluene for 1h; Green chemistry;	80%
With methanol; sodium tetrahydroborate; sodium ethanolate at 40℃;	80%

: 17049-49-9
octylmagnesium bromide

: 111-87-5
octanol

Conditions

Conditions	Yield
With titanium(IV) isopropylate; tert.-butylhydroperoxide In diethyl ether at -78℃; for 12h;	96%
With 2-t-butylperoxy-1,3,2-dioxaborolane In tetrahydrofuran 1.) overnight, 2.) reflux, 3 h;	80%
With diethyl ether; oxygen at 0℃;

: 112-14-1
n-octyl acetate

: 111-87-5
octanol

Conditions

Conditions	Yield
With ethanol at 90℃; under 10343.2 Torr; for 16h; Catalytic behavior; Reagent/catalyst; Inert atmosphere;	96%
With ytterbium(III) triflate In methanol for 30h; Ambient temperature;	80%
With [t-Bu2SnOH(Cl)]2 In methanol at 30℃; for 6h; Deacetylation;	93 % Chromat.

: 109-72-8, 29786-93-4
n-butyllithium

: (2R,3S)-linaloal oxide silyl ether

A: 111-87-5
octanol

B: (6R,7S)-7,11-Dimethyl-7-(methyl-diphenyl-silanyloxy)-dodec-10-en-6-ol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In tetrahydrofuran; hexane at -78℃; for 0.05h;	A n/a B 95%

...Expand

: 629-27-6
1-Iodooctane

: 111-87-5
octanol

Conditions

Conditions	Yield
With Amberlyst A 26; carbonate form In benzene for 4h; Heating;	95%
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 0.0166667h;	95%
In N,N,N,N,N,N-hexamethylphosphoric triamide; water at 100℃; for 2.5h;	92%
With N,N,N,N,N,N-hexamethylphosphoric triamide; air; zinc In tetrahydrofuran	65 % Spectr.

: 3295-97-4
allyl octyl ether

: 111-87-5
octanol

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 0.05h;	95%
With ethylmagnesium chloride; iron(II) chloride In tetrahydrofuran; m-xylene at 20℃; for 1h;	79%
With boron trifluoride diethyl etherate; tetra-(n-butyl)ammonium iodide In chloroform at 65℃; for 5h;	75%
With 1.3-propanedithiol; cerium(III) chloride; sodium iodide In nitromethane for 30h; Heating;	83 % Chromat.
With samarium diiodide; water; isopropylamine In tetrahydrofuran at 20℃; for 0.05h;

: 111-83-1
1-bromo-octane

: 111-87-5
octanol

Conditions

Conditions	Yield
With potassium hydroxide; tetrafluoroboric acid; sodium hydrogencarbonate; mercury(II) oxide In 1,4-dioxane 1.) room temp., 3 h;	95%
In N,N,N,N,N,N-hexamethylphosphoric triamide; water at 100℃; for 5.5h;	92%
With Amberlyst A 26; carbonate form In benzene for 4h; Heating;	90%

: 112-32-3
octyl formate

: 111-87-5
octanol

Conditions

Conditions	Yield
Stage #1: octyl formate With phenylsilane; C74H74Mn2N6P4 at 25℃; for 0.5h; Glovebox; Inert atmosphere; Stage #2: With sodium hydroxide In water at 25℃; for 2h; Glovebox; Inert atmosphere;	95%
With sodium hydroxide Ambient temperature; Yield given;

: 111-64-8
n-octanoic acid chloride

: 111-87-5
octanol

Conditions

Conditions	Yield
With sodium tetrahydroborate; titanium tetrachloride In 1,2-dimethoxyethane for 14h; Ambient temperature;	95%
With diisopropoxytitanium(III) tetrahydroborate In dichloromethane at -20℃; for 0.133333h;	86%
Multi-step reaction with 2 steps 1: LiAlH(i-Bu)2(n-Bu) / 0.5 h / 78 °C 2: 1.)LiAlH(i-Bu)2(n-Bu) 2.) NaBH4 / 1.) 1h, -78 deg C 2.) 1h, r.t., EtOH View Scheme
Multi-step reaction with 2 steps 1: LiAlH(i-Bu)2(n-Bu) / 0.5 h / 78 °C 2: LiAlH(i-Bu)2(n-Bu) / tetrahydrofuran; hexane / 6 h / -78 °C / reduction of other carbonyl compounds View Scheme

: 617-86-7
triethylsilane

: 111-87-5
octanol

: 17957-36-7
1-octyl triethylsilyl ether

Conditions

Conditions	Yield
cationic dirhodium(II) complex at 50℃; for 24h;	100%
With Rh/AlO(OH) In toluene at 25℃; for 24h; Inert atmosphere;	90%
dirhodium(II) tetrakis(perfluorobutyrate) In dichloromethane for 3h; Product distribution; Ambient temperature; var. alcohols; rel. reactivities for triethylsilane alcoholysis; var. catalysts;	86%

: 111-87-5
octanol

: 111-85-3
1-Chlorooctane

Conditions

Conditions	Yield
With diphenylselenium dichloride; triphenylphosphine In benzene for 0.333333h; Product distribution; other reagent, solvent;	100%
With Me2SeCl2; triphenylphosphine In chloroform for 0.333333h;	100%
With thionyl chloride; Triphenylphosphine oxide In neat (no solvent) at 100℃; for 5h; Mechanism; Reagent/catalyst;	100%

: 111-87-5
octanol

: 629-39-0
octyl nitrate

Conditions

Conditions	Yield
With nitric acid for 12h; Ambient temperature;	100%
With nitric acid for 12h; Ambient temperature;	100%
With nitric acid; urea; europium(III) trifluoromethanesulfonate In cyclohexane at 95℃; for 12h; Schlenk technique;	96%

: 111-87-5
octanol

: 124-07-2
Octanoic acid

Conditions

Conditions	Yield
With nitric acid for 0.333333h; Ambient temperature; sonication;	100%
With nitric acid for 0.333333h; Ambient temperature; sonication;	100%
With ruthenium trichloride; iodobenzene; potassium peroxomonosulfate In water; acetonitrile at 20℃; for 16h;	100%

: 111-87-5
octanol

: 2306-88-9
octyl octylate

Conditions

Conditions	Yield
With carbonylhydrido[6-(di-tert-butylphosphinomethylene)-2-(N,N-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(II); N-(4-chlorophenyl)formamide In 1,3,5-trimethyl-benzene at 125℃; for 48h; Reagent/catalyst;	100%
With sodium bromate; hydrogen bromide In tetrachloromethane at 35 - 37℃; for 2h;	99%
With disodium hydrogenphosphate; benzyltrimethylammonium tribromide In tetrachloromethane; water at 60℃; for 8.5h;	99%

: 111-87-5
octanol

: 108-24-7
acetic anhydride

: 112-14-1
n-octyl acetate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 20℃; for 0.0166667h;	100%
With cyclopenta-1,3-diene; dimethyl cis-but-2-ene-1,4-dioate; scandium tris(trifluoromethanesulfonate) In dichloromethane at 0℃; for 12h;	100%
With erbium(III) chloride at 50℃; for 1h;	100%

: 111-87-5
octanol

: 124-63-0
methanesulfonyl chloride

: 16156-52-8
n-octyl methanesulfonate

Conditions

Conditions	Yield
Stage #1: octanol With triethylamine In dichloromethane at 25℃; Stage #2: methanesulfonyl chloride In dichloromethane at 0 - 20℃;	100%
With triethylamine In dichloromethane at -15℃; for 1h; Green chemistry;	100%
With zinc oxide-nanoparticle at 50℃; for 4h; Neat (no solvent); chemoselective reaction;	93%

: 111-87-5
octanol

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 14246-16-3
trimethyl(oct-1-yloxy)silane

Conditions

Conditions	Yield
With asymmetric salen type di-Schiff base-based zinc complex supported on Fe3O4 nanoparticles at 20℃; for 0.383333h;	100%
With ammonium thiocyanate In dichloromethane at 0℃; for 0.166667h;	99%
phosphotungstic acid at 55 - 60℃; for 0.116667h;	96%

: 111-87-5
octanol

: 65-85-0
benzoic acid

: 94-50-8
n-octyl benzoate

Conditions

Conditions	Yield
With bis(5-norbornenyl-2-methyl) azodicarboxylate; polystyrene-supported PPh3 In tetrahydrofuran Esterification; Mitsunobu reaction;	100%
With toluene-4-sulfonic acid for 0.05h; Irradiation;	97%
With 1-(tert-butyl)-2-(chlorobenzyl) azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 4h; Reagent/catalyst; Mitsunobu Displacement;	97.9%

: 111-87-5
octanol

: 407-25-0
trifluoroacetic anhydride

: 2561-21-9
n-octyl trifluoroacetate

Conditions

Conditions	Yield
erbium(III) triflate In acetonitrile at 20℃; for 2.5h;	100%
With erbium(III) chloride for 1.5h; Heating;	99%
With triethylamine In benzene at 25 - 30℃; for 1h;

: 75-15-0
carbon disulfide

: 111-87-5
octanol

: 74-88-4
methyl iodide

: 35812-29-4
O-octyl-S-methyl dithiocarbonate

Conditions

Conditions	Yield
Stage #1: carbon disulfide; octanol With 1H-imidazole; sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Addition; Stage #2: methyl iodide In tetrahydrofuran at 20℃; for 0.5h; Methylation; Further stages.;	100%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In water for 1.5h; Ambient temperature;	95%
Stage #1: carbon disulfide; octanol In dimethyl sulfoxide at 20℃; for 0.333333h; Stage #2: With N-benzyl-trimethylammonium hydroxide In dimethyl sulfoxide at 20℃; for 1h; Stage #3: methyl iodide In dimethyl sulfoxide at 20℃; for 2h;	93%

...Expand

: 111-87-5
octanol

: 1074-12-0
phenylglyoxal hydrate

: 161065-36-7
2,2-bis(octyloxy)-1-phenylethan-1-one

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In toluene for 2h; Heating;	100%
In toluene for 2h; Heating / reflux;	100%
With sulfuric acid In benzene Heating;	87%

: 111-87-5
octanol

: 64-19-7
acetic acid

: 112-14-1
n-octyl acetate

Conditions

Conditions	Yield
With Keggin-type 12-tungstophosphoric acid supported on MCM-41 at 80℃; for 1h;	100%
LaY zeolite at 116℃; for 6h; Acetylation;	98%
With bismuth(lll) trifluoromethanesulfonate at 20℃; for 0.5h;	98%

: 136918-14-4
phthalimide

: 111-87-5
octanol

: 59333-62-9
N-octylphthalimide

Conditions

Conditions	Yield
With bis(5-norbornenyl-2-methyl) azodicarboxylate; polystyrene-supported PPh3 In tetrahydrofuran Substitution; Mitsunobu reaction;	100%
With 1-(tert-butyl)-2-(chlorobenzyl) azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 5h; Reagent/catalyst; Mitsunobu Displacement;	89.6%
With tagged 3-(diphenylphosphino)propionic acid t-butyl ester; tagged di-t-butylazodicarboxylate Yield given;

: 111-87-5
octanol

: 2021-28-5
ethyl dihydrocinnamate

: 37826-57-6
1-octyl 3-phenylpropanoate

Conditions

Conditions	Yield
[Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 16h;	100%
With sulfonated polypyrene In n-heptane at 110℃; for 6h;	97%
With chloro-trimethyl-silane; diphenylammonium trifluoromethanesulfonate In toluene at 80 - 110℃; for 24h; Esterification;	94%
With high p-toluenesulfonate content diphenylamine and terephthalaldehyde resin In neat (no solvent) at 110℃; for 24h;	94%

: 111-87-5
octanol

: 501-52-0
3-Phenylpropionic acid

: 37826-57-6
1-octyl 3-phenylpropanoate

Conditions

Conditions	Yield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 10h;	100%
With sulfonated polypyrene In n-heptane at 110℃; for 2h;	98%
With trifluorormethanesulfonic acid at 80℃; for 18h; Reagent/catalyst; Temperature; Sealed tube;	98%

: 111-87-5
octanol

: 93-97-0
benzoic acid anhydride

: 94-50-8
n-octyl benzoate

Conditions

Conditions	Yield
erbium(III) triflate In acetonitrile at 50℃; for 0.5h;	100%
With bismuth(lll) trifluoromethanesulfonate In acetonitrile for 0.416667h; Heating;	97%
Sulfate; tin(IV) oxide In acetonitrile at 20℃; for 3h;	90%

: 111-87-5
octanol

: 2021-28-5
ethyl dihydrocinnamate

A: 64-17-5
ethanol

B: 37826-57-6
1-octyl 3-phenylpropanoate

Conditions

Conditions	Yield
2[{Cl(C6F13CH2CH2)2SnOSn(CH2CH2C6F13)2Cl}2] In various solvent(s) at 150℃; for 16h;	A n/a B 100%

...Expand

: 111-87-5
octanol

: 1538-75-6
2,2-dimethylpropanoic anhydride

: 27751-88-8
1-octyl 2,2-dimethylpropanoate

Conditions

Conditions	Yield
erbium(III) triflate In acetonitrile at 20℃; for 0.416667h;	100%
With magnesium(II) perchlorate at 40℃; for 5h;	99%
With erbium(III) chloride at 50℃; for 2h;	99%
With bismuth(lll) trifluoromethanesulfonate In dichloromethane; water at 25℃; for 4h;	98%

: 111-87-5
octanol

: 123-62-6
propionic acid anhydride

: 142-60-9
octyl propionate

Conditions

Conditions	Yield
erbium(III) triflate In acetonitrile at 20℃; for 0.25h;	100%
With erbium(III) chloride at 50℃; for 1.5h;	99%
With magnesium(II) perchlorate at 20℃; for 0.5h;	98%

: 111-87-5
octanol

: 35005-21-1
4-(4-Carboxy-butoxy)-benzoic acid

: 4-(4-octyloxycarbonyl-butoxy)-benzoic acid

Conditions

Conditions	Yield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 16h;	100%

: 111-87-5
octanol

: 100-46-9
benzylamine

: 1667-16-9
N-benzyl-N-octylamine

Conditions

Conditions	Yield
Stage #1: octanol With 2,2,6,6-tetramethyl-piperidine-N-oxyl; [bis(acetoxy)iodo]benzene In dichloromethane for 16h; Stage #2: benzylamine With sodium tetrahydroborate In dichloromethane chemoselective reaction;	100%
With potassium carbonate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In toluene at 90℃; for 17h;	88%
With sodium hydrogencarbonate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] In toluene at 90℃; for 17h;	86%

1-Octanol Specification

The 1-Octanol,with the CAS registry number 111-87-5, it is also named as Caprylic alcohol. The product's categories are 1-alkanols; monofunctional & alpha,omega-bifunctional alkanes; monofunctional alkanes. It is colourless liquid with a penetrating odour that it should be avoided contact with strong oxidants, acids and acyl chlorine, so it must sealed in the container which is placed in the cool and dry aera. 1-Octanol can react with acid by esterification in the catalyst. Additionally, it can be oxidized to produce the corresponding aldehyde or acid.

The other characteristics of 1-Octanol can be summarized as:
(1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.876; (4)ACD/LogD (pH 7.4): 2.876; (5)ACD/BCF (pH 5.5): 90.391; (6)ACD/BCF (pH 7.4): 90.391; (7)ACD/KOC (pH 5.5): 874.594; (8)ACD/KOC (pH 7.4): 874.594; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.428; (13)Molar Refractivity: 40.647 cm³; (14)Molar Volume: 158.095 cm³; (15)Polarizability: 16.114×10^-24 cm³; (16)Surface Tension: 29.091 dyne/cm; (17)Enthalpy of Vaporization: 50.137 kJ/mol; (18)Vapour Pressure: 0.114 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 130.135765; (21)MonoIsotopic Mass: 130.135765; (22)Topological Polar Surface Area: 20.2; (23)Heavy Atom Count: 9.

Preparation of 1-Octanol:
It is obtained industrially by oxidation of the alkylaluminium products. The following is the chemical equation:
Al(C₂H₅)₃ + 9 C₂H₄ → Al(C₈H₁₇)₃
Al(C₈H₁₇)3 + 3 O + 3 H₂O → 3 HOC₈H₁₇ + Al(OH)₃
The process generates of alcohols that are separated by distillation.

Uses of of 1-Octanol:
The primary use of this chemical is in the manufacture of various esters. It is also used as a defoaming or wetting agent and a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. Besides, in experimental medical applications, using octanol to control Essential Tremor and other types of involuntary neurological tremors.

Safety information of 1-Octanol:
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:CCCCCCCCO
2. InChI:InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
3. InChIKey:KBPLFHHGFOOTCA-UHFFFAOYAH

The following are the toxicity data of 1-Octanol:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
frog	LDLo	parenteral	1240mg/kg (1240mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935.
guinea pig	LD50	skin	> 1gm/kg (1000mg/kg)		Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.
mammal (species unspecified)	LD50	unreported	4gm/kg (4000mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse	LD50	intravenous	69mg/kg (69mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse	LD50	oral	1790mg/kg (1790mg/kg)		Hygiene and Sanitation Vol. 31(1-3), Pg. 310, 1966.
rat	LCLo	inhalation	5600mg/m3/4H (5600mg/m3)	LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA BLOOD: HEMORRHAGE	United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1088-0762,
rat	LD50	oral	> 3200mg/kg (3200mg/kg)		Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.

Product Name

1-Octanol

Synthetic route

1-Octanol Specification

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