Product Name

  • Name

    1-Octylbenzene

  • EINECS 218-582-1
  • CAS No. 2189-60-8
  • Article Data150
  • CAS DataBase
  • Density 0.86 g/cm3
  • Solubility
  • Melting Point -36 °C(lit.)
  • Formula C14H22
  • Boiling Point 264.5 °C at 760 mmHg
  • Molecular Weight 190.329
  • Flash Point 106.6 °C
  • Transport Information
  • Appearance colourless liquid
  • Safety 23-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 2189-60-8 (1-Octylbenzene)
  • Hazard Symbols
  • Synonyms Octane,1-phenyl- (6CI,7CI,8CI);NSC 404115;Octylbenzene;Octylbenzol;Phenyloctane;n-Octylbenzene;
  • PSA 0.00000
  • LogP 4.58960

Synthetic route

(E)-1-phenyl-1-octene
28665-60-3

(E)-1-phenyl-1-octene

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
Stage #1: (E)-1-phenyl-1-octene With Dimethylphenylsilane; copper(l) chloride In various solvent(s) at 20℃; for 24h; Reduction;
Stage #2: With water; toluene-4-sulfonic acid In various solvent(s) at 20℃; Hydrolysis;		100%
9-octyl-9-bora-bicyclo[3.3.1]nonane
30089-00-0

9-octyl-9-bora-bicyclo[3.3.1]nonane

iodobenzene
591-50-4

iodobenzene

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With sodium hydroxide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 65℃; for 16h; Product distribution; other: B-alkylboron compounds, catalysts, bases, solvents, temperatures;99%
With sodium hydroxide; cis-dichloro-1,1'-bis(diphenylphosphino)ferrocene palladium(II) In tetrahydrofuran; water Reaction mixt. is stirred for 16 h at temp. 65°C, cooled to room temp., oxidized with soln. of NaOH in THF-H2O.; Extracted with hexane, washed with water, dried (MgSO4), identified by GLC.;99%
With potassium carbonate; cis-dichloro-1,1'-bis(diphenylphosphino)ferrocene palladium(II) In N,N-dimethyl-formamide Reaction mixt. is stirred for 16 h at temp. 50°C, cooled to room temp., oxidized with soln. of K2CO3 in DMF.; Extracted with hexane, washed with water, dried (MgSO4), identified by GLC.;98%
1-Iodooctane
629-27-6

1-Iodooctane

phenylmagnesium bromide

phenylmagnesium bromide

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With (1R,2R)-bis(dimethylamino)cyclohexane In tetrahydrofuran at 25℃; for 0.25h;99%
With 1,3-bis-(diphenylphosphino)propane; cobalt(II) chloride In tetrahydrofuran at -15℃; for 0.5h;33%
With N,N,N,N,-tetramethylethylenediamine; iron(III) chloride In tetrahydrofuran at 0℃; for 0.5h;97 % Spectr.
1-Chlorooctane
111-85-3

1-Chlorooctane

phenylmagnesium bromide

phenylmagnesium bromide

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With 1,3-bis(mesityl)imidazolium chloride; palladium diacetate In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 20℃; for 1h; Kumada reaction;97%
With (1R,2R)-bis(dimethylamino)cyclohexane In tetrahydrofuran at 25℃; for 0.25h;10%
With N,N,N,N,-tetramethylethylenediamine; iron(III) chloride In tetrahydrofuran at 40℃; for 0.5h;45 % Spectr.
1-Iodooctane
629-27-6

1-Iodooctane

phenylmagnesium chloride
100-59-4

phenylmagnesium chloride

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With [polymer-incarcerated nickel nanocatalyst] PICB-NHC-Ni (0.25 mol % as Ni) In tetrahydrofuran at 20℃; for 12h;97%
With N,N,N,N,-tetramethylethylenediamine; [((Me)NN2)NiCl] In tetrahydrofuran at 20℃; for 2h; Kumada-Corriu-Tamao coupling reaction; Inert atmosphere;92%
With [Fe(bis(oxazolinylphenyl)amido-Ph)Cl2] In tetrahydrofuran at -40℃; for 1h; Inert atmosphere;92%
1-phenyl-1-octyne
16967-02-5

1-phenyl-1-octyne

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
Stage #1: 1-phenyl-1-octyne With tris-(dibenzylideneacetone)dipalladium(0); tricyclohexylphosphine In 1,4-dioxane at 20℃; for 0.25h; Inert atmosphere;
Stage #2: With formic acid In 1,4-dioxane at 80℃; Inert atmosphere; chemoselective reaction;		96%
1-iodo-3-phenylpropan
4119-41-9

1-iodo-3-phenylpropan

pentylmagnesium chloride
6393-56-2

pentylmagnesium chloride

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With copper(l) iodide; lithium chloride In tetrahydrofuran at 20℃; for 1h;96%
1-octyl p-toluenesulfonate
3386-35-4

1-octyl p-toluenesulfonate

phenyllithium
591-51-5

phenyllithium

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
Stage #1: phenyllithium With ZnI2(tmeda) In tetrahydrofuran; dibutyl ether at 0℃; for 0.166667h;
Stage #2: 1-octyl p-toluenesulfonate With iron(III) chloride; magnesium bromide In tetrahydrofuran; dibutyl ether at 0 - 25℃;		95%
(i) CuI, (ii) /BRN= 2418747/; Multistep reaction;
iodobenzene
591-50-4

iodobenzene

oct-1-ene
111-66-0

oct-1-ene

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
Stage #1: oct-1-ene With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran at 20℃; for 17h;
Stage #2: iodobenzene With potassium phosphate; 2H(1+)*Cl4Pd(2-)*2H3N; poly[N-isopropylacrylamide-co-diphenyl(4'-styryl)phosphine] In tetrahydrofuran; 1,4-dioxane at 100℃; for 1.5h; Suzuki-Miyaura reaction;		95%
1-bromo-octane
111-83-1

1-bromo-octane

phenylmagnesium bromide
100-58-3

phenylmagnesium bromide

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With N,N,N,N,-tetramethylethylenediamine; cobalt(III) acetylacetonate In tetrahydrofuran at 0℃; for 0.666667h; Inert atmosphere; chemoselective reaction;95%
With triphenyl phosphite; silver(I) bromide In diethyl ether; hexane for 5h; Inert atmosphere; Reflux;88%
With C20H26Cl2FeN4 In tetrahydrofuran at 45℃; for 0.666667h; Inert atmosphere;72 %Spectr.
With N,N,N,N,-tetramethylethylenediamine; C34H46Cl4N10Ni2O2 In tetrahydrofuran at 20℃; for 1.33333h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Schlenk technique;83 %Spectr.
iodobenzene
591-50-4

iodobenzene

octylboronic trimethylene ester
117582-36-2

octylboronic trimethylene ester

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With TlOH; (1,2-bis(diphenylphosphanyl)ethane)dichloridopalladium(II) In water; benzene at 50℃; for 16h;93%
With TlOH; (1,2-bis(diphenylphosphanyl)ethane)dichloridopalladium(II) In water; benzene at 50°C, for 16 h;93%
With TlOH In tetrahydrofuran; water at 50°C, for 16 h;75%
With Ti2CO3 In tetrahydrofuran at 50°C, for 16 h;60%
With sodium hydroxide; cis-dichloro-1,1'-bis(diphenylphosphino)ferrocene palladium(II) In tetrahydrofuran Reaction mixt. is stirred for 16 h at 65°C, cooled to room temp., oxidized with aq. soln of NaOH.; Extracted with hexane, washed with water, dried (MgSO4), identified by GLC.;1%
iodobenzene
591-50-4

iodobenzene

2-octyl-1,3,2-benzodioxaborole
98875-37-7

2-octyl-1,3,2-benzodioxaborole

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With Ti2CO3; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 50℃; for 16h;93%
With Ti2CO3 In tetrahydrofuran at 50°C, for 16 h;93%
With TlOH In tetrahydrofuran; water at 50°C, for 16 h;41%
With potassium hydroxide In tetrahydrofuran; water at 50°C, for 16 h;<1
1-Chlorooctane
111-85-3

1-Chlorooctane

benzene
71-43-2

benzene

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With aluminium trichloride at 60℃; for 0.166667h;93%
iodobenzene
591-50-4

iodobenzene

dicyclohexyl-n-octylborane
38103-67-2

dicyclohexyl-n-octylborane

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With sodium hydroxide; cis-dichloro-1,1'-bis(diphenylphosphino)ferrocene palladium(II) In tetrahydrofuran A mixt. of iodobenzene, catalyst and octyldisiamylborane is stirred for 16 h at 65°C, cooled to room temp., oxidized with aq. soln of NaOH.; Extracted with hexane, washed with water, dried (MgSO4), identified by GLC.;93%
n-octanophenone
1674-37-9

n-octanophenone

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With potassium fluoride; palladium diacetate; chlorobenzene In tetrahydrofuran; water at 20℃; for 1h; Inert atmosphere; chemoselective reaction;92%
With 5%-palladium/activated carbon; hydrogen In methanol under 2585.81 - 3102.97 Torr;91.5%
With triethylsilane; titanium tetrachloride In dichloromethane at 0 - 5℃; for 3 - 5h; Reagent/catalyst; Solvent; Temperature; Large scale;90%
3-phenylpropyl 4-methylbenzenesulfonate
3742-75-4

3-phenylpropyl 4-methylbenzenesulfonate

pentylmagnesium chloride
6393-56-2

pentylmagnesium chloride

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With copper(l) iodide; lithium chloride In tetrahydrofuran at 20℃; for 1h;92%
iodobenzene
591-50-4

iodobenzene

C24H51In
1041479-71-3

C24H51In

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With copper(l) iodide; o-(di(tert-butyl)phosphino)-N,N-dimethylaniline In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere; Glovebox;91%
iodobenzene
591-50-4

iodobenzene

1-Iodooctane
629-27-6

1-Iodooctane

carbon monoxide
201230-82-2

carbon monoxide

A

Octylbenzene
2189-60-8

Octylbenzene

B

1-phenylnonan-1-one
6008-36-2

1-phenylnonan-1-one

Conditions
ConditionsYield
With copper; zinc; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃; under 760 Torr; for 23h;A 3%
B 90%
...Expand
1-bromo-octane
111-83-1

1-bromo-octane

phenylboronic acid
98-80-6

phenylboronic acid

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With palladium diacetate; di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; potassium tert-butylate In tert-Amyl alcohol at 20℃; Product distribution; Further Variations:; Reagents; Solvents; Suzuki cross-coupling;90%
With potassium carbonate In toluene at 90℃; for 9h; Reagent/catalyst; Suzuki-Miyaura Coupling; Green chemistry;88%
With potassium phosphate; bis(1,5-cyclooctadiene)nickel (0); bis(N-methylimidazol-2-yl)methane In N,N-dimethyl acetamide at 80℃; for 2h; Product distribution / selectivity; Suzuki Coupling;79%
1-Bromo-3-phenylpropane
637-59-2

1-Bromo-3-phenylpropane

pentylmagnesium chloride
6393-56-2

pentylmagnesium chloride

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With copper(l) iodide; lithium chloride In tetrahydrofuran at 20℃; for 1h;90%
1-bromo-octane
111-83-1

1-bromo-octane

triphenylphosphine
603-35-0

triphenylphosphine

A

Octylbenzene
2189-60-8

Octylbenzene

B

n-octyldiphenylphosphine
6737-43-5

n-octyldiphenylphosphine

Conditions
ConditionsYield
Stage #1: triphenylphosphine With lithium In tetrahydrofuran at 20℃; for 3h; Inert atmosphere;
Stage #2: 1-bromo-octane In tetrahydrofuran at 5 - 70℃; for 6.25h;		A 89.4%
B 86.3%
Stage #1: triphenylphosphine With lithium In tetrahydrofuran at 20℃; for 3h; Inert atmosphere;
Stage #2: 1-bromo-octane In tetrahydrofuran at 5 - 70℃; for 3.25h; Inert atmosphere;
...Expand
2-octyl-benzo-1,3,2-diazaborolane

2-octyl-benzo-1,3,2-diazaborolane

bromobenzene
108-86-1

bromobenzene

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With potassium phosphate monohydrate; palladium diacetate; tricyclohexylphosphine for 0.0833333h; Suzuki-Miyaura coupling; Inert atmosphere; Microwave irradiation; Neat (no solvent);88%
1-chloro-4-octylbenzene

1-chloro-4-octylbenzene

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With cyclohexa-1,4-diene; 9-ethyl-N3,N3,N6,N6,-tetramethyl-9H-carbazole-3,6-diamine; N-ethyl-N,N-diisopropylamine In N,N-dimethyl acetamide at 23℃; for 48h; Reagent/catalyst; Solvent; Inert atmosphere; UV-irradiation; Schlenk technique;86%
1-bromo-octane
111-83-1

1-bromo-octane

phenylmagnesium chloride
100-59-4

phenylmagnesium chloride

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With palladium diacetate; bis(1-adamantyl)phosphine oxide In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 25℃; for 20h; Kumada-Corriu coupling; Inert atmosphere;85%
dilithium tetrachlorocuprate In tetrahydrofuran at 20℃; Alkylation;70%
With [CoI(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)]2(μ-I)2 In tetrahydrofuran at 20℃; for 18h; Kumada-Tamao-Corriu cross-coupling; Inert atmosphere;16%
With N,N,N,N,-tetramethylethylenediamine; [((Me)NN2)NiCl] In tetrahydrofuran at 20℃; Kumada-Corriu-Tamao coupling reaction; Inert atmosphere;90 %Chromat.
With Fe2Cl4(C3H2N2(C6H3(CH(CH3)2)2)2)2 In tetrahydrofuran at -30 - 23℃; for 1h; Kumada Cross-Coupling; Inert atmosphere; Glovebox;71 %Spectr.
1-Chlorooctane
111-85-3

1-Chlorooctane

phenylboronic acid
98-80-6

phenylboronic acid

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With potassium phosphate; bis(1,5-cyclooctadiene)nickel (0); bis(N-methylimidazol-2-yl)methane In N,N-dimethyl acetamide at 80℃; for 9h; Suzuki Coupling;85%
1-bromo-octane
111-83-1

1-bromo-octane

phenylmagnesium bromide

phenylmagnesium bromide

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With 1,8-diazabicyclo[2.2.2.]octane; (1,2,3,4,5-pentamethyl-cyclopenta-2,4-dienylmethyl)PPh2*BH3; nickel dichloride In tetrahydrofuran; diethyl ether; toluene at 25℃; for 3h;83%
With (1R,2R)-bis(dimethylamino)cyclohexane In tetrahydrofuran at 25℃; for 0.25h;80%
dilithium tetrachlorocuprate In tetrahydrofuran at 20℃; for 16h;76%
1-bromo-octane
111-83-1

1-bromo-octane

Li[(Ph)(t-Bu)Bpin]

Li[(Ph)(t-Bu)Bpin]

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With {1,2-bis(diphenylphosphino)ethane}dichloroiron; magnesium bromide ethyl etherate In tetrahydrofuran at 40℃; for 3h;83%
iodobenzene
591-50-4

iodobenzene

octyldisiamylborane
32327-50-7

octyldisiamylborane

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With sodium hydroxide; cis-dichloro-1,1'-bis(diphenylphosphino)ferrocene palladium(II) In tetrahydrofuran A mixt. of iodobenzene, catalyst and octyldisiamylborane is stirred for 16 h at 65°C, cooled to room temp., oxidized with aq. soln of NaOH.; Extracted with hexane, washed with water, dried (MgSO4), identified by GLC.;82%
1-Chlorooctane
111-85-3

1-Chlorooctane

chlorobenzene
108-90-7

chlorobenzene

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With nickel(II) bromide dimethoxyethane; pyridine-2,6-bis(N-cyanocarboxamidine); lithium chloride; zinc In 1-methyl-pyrrolidin-2-one at 80℃; for 24h; Catalytic behavior; Reagent/catalyst; Inert atmosphere;82%
1-bromo-octane
111-83-1

1-bromo-octane

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole
24388-23-6

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole

Octylbenzene
2189-60-8

Octylbenzene

Conditions
ConditionsYield
With C25H33Cl2FeLiN2*0.75C4H8O; lithium ethylmethyl amide In benzene at 20℃; for 24h; Suzuki-Miyaura Coupling; Glovebox; Inert atmosphere;80%
With 2,2-bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)acetonitrile; (2,2-bis((S)-4-phenyl-4,5-dihydrooxazol-2-yl)acetonitrile)FeCl; lithium ethylmethyl amide In benzene at 50℃; for 48.17h; Suzuki-Miyaura Coupling; Inert atmosphere; Sealed tube;77%
With nickel(II) bromide dimethoxyethane; potassium tert-butylate; trans-N,N'-dimethylcyclohexane-1,2-diamine; iso-butanol; sodium iodide at 60℃; Inert atmosphere;69%
gloutaric dichloride
2873-74-7

gloutaric dichloride

Octylbenzene
2189-60-8

Octylbenzene

1,5-Bis-(4-octyl-phenyl)-pentane-1,5-dione

1,5-Bis-(4-octyl-phenyl)-pentane-1,5-dione

Conditions
ConditionsYield
With aluminium trichloride In dichloromethane100%
Octylbenzene
2189-60-8

Octylbenzene

4-octylbenzene-1-sulfonyl chloride
54997-91-0

4-octylbenzene-1-sulfonyl chloride

Conditions
ConditionsYield
With chlorosulfonic acid In chloroform at 0 - 20℃; for 0.25h;100%
With chlorosulfonic acid In chloroform at 20℃; for 20h;80%
With chlorosulfonic acid In dichloromethane at 20℃; for 6h;74%
With chlorosulfonic acid In chloroform at 20℃; for 20h;
Octylbenzene
2189-60-8

Octylbenzene

1-cyclohexyloctane
1795-15-9

1-cyclohexyloctane

Conditions
ConditionsYield
With hydrogen In neat (no solvent) at 50℃; under 760.051 Torr; for 64h; Temperature;99%
With nickel-aluminium oxide at 160 - 170℃; under 36775.4 - 51485.6 Torr; Hydrogenation;
With nickel kieselguhr at 200 - 255℃; under 110326 Torr; Hydrogenation;
(hydrogenation);
Octylbenzene
2189-60-8

Octylbenzene

2-Bromoacetyl bromide
598-21-0

2-Bromoacetyl bromide

α-bromomethyl p(n-octyl)phenyl cetone
64068-76-4

α-bromomethyl p(n-octyl)phenyl cetone

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane at -10℃; Friedel-Crafts Acylation;98%
With aluminum (III) chloride In dichloromethane at -10 - 20℃; Friedel-Crafts Acylation;62%
With aluminum (III) chloride In 1,2-dichloro-ethane at 0 - 20℃; Friedel-Crafts acylation;60%
Octylbenzene
2189-60-8

Octylbenzene

acetyl chloride
75-36-5

acetyl chloride

4-n-octylacetophenone
10541-56-7

4-n-octylacetophenone

Conditions
ConditionsYield
aluminium chloride In dichloromethane96%
aluminium chloride In dichloromethane96%
With aluminum (III) chloride In dichloromethane at -5 - 30℃; for 2h;92.2%
cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate

cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate

Octylbenzene
2189-60-8

Octylbenzene

[Ru(η5-C5H5)(η6-C6H5C8H17)][PF6]

[Ru(η5-C5H5)(η6-C6H5C8H17)][PF6]

Conditions
ConditionsYield
In acetonitrile at 90℃; for 19h; Inert atmosphere;92%
4-n-octyldeoxybenzoin
108496-67-9

4-n-octyldeoxybenzoin

Octylbenzene
2189-60-8

Octylbenzene

phenylacetyl chloride
103-80-0

phenylacetyl chloride

4'-n-octylbenzoin

4'-n-octylbenzoin

Conditions
ConditionsYield
With hydrogenchloride; bromine; sodium methylate; aluminium trichloride In carbon disulfide; ethanol; 1,1,2-Trichloro-1,2,2-trifluoroethane; water91%
...Expand
Octylbenzene
2189-60-8

Octylbenzene

n-octanophenone
1674-37-9

n-octanophenone

Conditions
ConditionsYield
With N-hydroxyphthalimide; 6-((cobalt(II) 4,9,16,23-tetraaminephthalocyanin-4-yl))cellulose; oxygen; potassium hydroxide In o-xylene for 14h; Reflux; Green chemistry;91%
With Oxone; potassium bromide In nitromethane at 20℃; for 24h;87%
With tert.-butylhydroperoxide; 4C12H25O4S(1-)*Fe2O(4+)*10H2O In water at 30℃; for 50h;72%
Octylbenzene
2189-60-8

Octylbenzene

benzoyl chloride
98-88-4

benzoyl chloride

n-octyl-4-benzophene
64357-43-3

n-octyl-4-benzophene

Conditions
ConditionsYield
With aluminium trichloride In carbon disulfide for 12h; Heating;89%
With carbon disulfide; aluminium trichloride at 50℃;
With aluminium trichloride
With aluminium trichloride In carbon disulfide

1-Phenyloctane Chemical Properties

Molecule structure of n-Octylbenzene (CAS NO.2189-60-8):

IUPAC Name: Octylbenzene 
Molecular Weight: 190.32448 g/mol
Molecular Formula: C14H22 
Density: 0.86 g/cm3 
Melting Point: −36 °C(lit.)
Boiling Point: 264.5 °C at 760 mmHg 
Flash Point: 106.6 °C
Index of Refraction: 1.486
Molar Refractivity: 63.59 cm3
Molar Volume: 221.2 cm3
Polarizability: 25.21×10-24 cm3
Surface Tension: 31 dyne/cm
Enthalpy of Vaporization: 48.21 kJ/mol
Vapour Pressure: 0.0158 mmHg at 25 °C
XLogP3: 6.6
Rotatable Bond Count: 7
Exact Mass: 190.172151
MonoIsotopic Mass: 190.172151
Heavy Atom Count: 14
Canonical SMILES: CCCCCCCCC1=CC=CC=C1
InChI: InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKey: CDKDZKXSXLNROY-UHFFFAOYSA-N
EINECS: 218-582-1

1-Phenyloctane Safety Profile

Safety Statements: 23-24/25 
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

1-Phenyloctane Specification

 n-Octylbenzene (CAS NO.2189-60-8) is also named as 1-Phenyloctane ; AI3-16044 ; NSC 404115 ; Octylbenzene ; Phenyloctane ; Benzene, octyl- ; Octane, 1-phenyl- (8CI) . n-Octylbenzene (CAS NO.2189-60-8) is colourless liquid. It is stable and combustible. It can be incompatible with strong oxidizing agents.

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