Dodecylbenzene supplier | CasNO.123-01-3

Name
Dodecylbenzene
EINECS 204-591-8
CAS No. 123-01-3
Article Data65
CAS DataBase
Density 0.856 g/mL at 25 °C
Solubility <0.1 g/100 mL at 25 C
Melting Point -7 °C
Formula C₁₈H₃₀
Boiling Point 331.4 °C at 760 mmHg
Molecular Weight 246.436
Flash Point 144.8 °C
Transport Information UN 3082 9/PG 3
Appearance colourless liquid
Safety 24/25
Risk Codes 53
Molecular Structure
Hazard Symbols
Synonyms Dodecane,1-phenyl- (8CI);1-Dodecylbenzene;1-Phenyl-n-dodecane;1-Phenyldodecane;Alkylate P 1;Detergent Alkylate No. 2;Laurylbenzene;NSC102805;NSC 4584;Nalkylene 500;n-Dodecylbenzene;
PSA 0.00000
LogP 6.15000

Synthetic route

: 143-15-7
1-dodecylbromide

: 98-80-6
phenylboronic acid

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With palladium diacetate; potassium tert-butylate; 1,3,5,7-tetramethyl-6-(2,4-dimethoxyphenyl)-2,4,8-trioxa-6-phosphaadamantane In 1,4-dioxane at 20℃; for 26h; Suzuki coupling;	97%

: 2996-92-1
phenyl trimethylsiloxane

: 143-15-7
1-dodecylbromide

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; tetrabutyl ammonium fluoride; palladium(II) bromide In tetrahydrofuran at 20℃; for 14h; Product distribution; Further Variations:; Reagents; Reaction partners; Hiyama coupling;	88%
With di-tert-butyl(methyl)phosphonium tetrafluoroborate salt; tetrabutyl ammonium fluoride; palladium(II) bromide In tetrahydrofuran at 20℃; for 14h; Hiyama coupling;	88%

: 591-50-4
iodobenzene

: 2030-84-4
n-Dodec-4-en

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
Stage #1: n-Dodec-4-en With Schwartz's reagent In tetrahydrofuran at 50℃; for 5h; Inert atmosphere; Sealed tube; Stage #2: iodobenzene With [nickel(II) (4,4'-di-tert-butyl-2,2'-bipyridine)(bromide)2]; triphenylphosphine In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; Irradiation; Sealed tube;	88%

: 10157-76-3
dodecyl 4-methylbenzenesulphonate

: 5123-13-7
5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With copper(l) iodide; lithium tert-butoxide In N,N-dimethyl-formamide at 60℃; for 12h; Suzuki-Miyauri coupling; Inert atmosphere;	87%

: 143-15-7
1-dodecylbromide

: 603-35-0
triphenylphosphine

A: 123-01-3
1-dodecylbenzene

B: 38854-58-9
1-(diphenylphosphino)dodecane

Conditions

Conditions	Yield
Stage #1: triphenylphosphine With lithium In 1,4-dioxane at 20℃; for 3h; Inert atmosphere; Stage #2: 1-dodecylbromide In 1,4-dioxane at 10 - 80℃; for 6.25h;	A 85.6% B 78.1%

...Expand

: 108-86-1
bromobenzene

: 143-15-7
1-dodecylbromide

A: 92-52-4
biphenyl

B: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With nickel(II) bromide dimethoxyethane; 5,5'-bis(tris(3,5-diisopropylphenyl)methyl)-2,2'-bipyridine; zinc In N,N-dimethyl acetamide at 60℃; for 14h; Reagent/catalyst; Inert atmosphere; Glovebox; Sealed tube;	A 6% B 85%

...Expand

: 693-67-4
bromoundecane

: 100-52-7
benzaldehyde

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
Stage #1: bromoundecane With magnesium In tetrahydrofuran Stage #2: benzaldehyde at 0 - 20℃; Inert atmosphere; Stage #3: With hydrogenchloride; palladium 10% on activated carbon; hydrogen In diethyl ether; water under 760.051 Torr;	84%

: 292638-84-7
styrene

: 4416-59-5
n-decyllithium

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
In diethyl ether at -25℃;	82%
In diethyl ether at -25℃; for 1h; Addition;	82%

: 4292-19-7
1-Iodododecane

: phenylmagnesium bromide

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
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;	80%

: 591-50-4
iodobenzene

: 112-41-4
1-dodecene

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
Stage #1: 1-dodecene With tetrabutylammonium borohydride; ethyl iodide In tetrahydrofuran at 25℃; for 20h; Stage #2: iodobenzene With bis-triphenylphosphine-palladium(II) chloride; sodium hydroxide In water at 80℃; for 16h; Solvent; Reagent/catalyst; Suzuki-Miyaura Coupling; Inert atmosphere;	75%

: 100-58-3
phenylmagnesium bromide

: 112-52-7
1-chlorododecane

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With copper(l) iodide In 2-methyltetrahydrofuran; toluene at 80℃; for 18h; Inert atmosphere; Schlenk technique; Sealed tube;	71%

: 30089-00-0
9-octyl-9-bora-bicyclo[3.3.1]nonane

: 64283-87-0
4-phenyl-1-iodobutane

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With C18H24ClN3Ni; sodium iodide; sodium hydroxide In 1,4-dioxane; isopropyl alcohol at 20℃; for 24h; Reagent/catalyst; Suzuki-Miyaura Coupling; Inert atmosphere;	70%

: 112-52-7
1-chlorododecane

: 98-80-6
phenylboronic acid

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With palladium diacetate; potassium tert-butylate; 1,3,5,7-tetramethyl-6-(2,4-dimethoxyphenyl)-2,4,8-trioxa-6-phosphaadamantane In 1,4-dioxane at 90℃; for 29h; Suzuki coupling;	65%

: 128780-76-7
1-Phenyl-4-nitro-3-dodecanone (p-tolylsulfonyl)hydrazone

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 60℃; for 10h;	61%

: 112-80-1
cis-Octadecenoic acid

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With Cu3P catalyst supported on SiO2 In dodecane at 340℃; for 6h; Inert atmosphere;	46.13%
With hydrogen at 325℃; under 15001.5 Torr; for 2h; Reagent/catalyst; Temperature;

: 112-80-1
cis-Octadecenoic acid

A: 5617-42-5
heptylcyclopentane

B: 1795-17-1
dodecylcyclohexane

C: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With Cu3P catalyst supported on ultra-stable zeolite Y In dodecane at 340℃; for 6h; Inert atmosphere;	A 5.01% B 8.31% C 32.84%

...Expand

: 309919-01-5
1-(3'-bromophenyl)-1-dodecanol

A: 123-01-3
1-dodecylbenzene

B: 309919-02-6
1-bromo-3-dodecylbenzene

Conditions

Conditions	Yield
Stage #1: 1-(3'-bromophenyl)-1-dodecanol With triethylsilane; boron trifluoride diethyl etherate In dichloromethane at 0 - 20℃; Inert atmosphere; Stage #2: With palladium on activated charcoal; hydrogen In ethanol at 20℃; for 0.05h;	A 5% B n/a

: 1674-38-0
dodecanophenone

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With palladium on activated charcoal; ethanol Hydrogenolyse;
With copper-zinc-aluminium oxide at 165 - 175℃; under 73550.8 Torr; Hydrogenolyse;
With sodium ethanolate; hydrazine hydrate at 180℃;

: 1674-38-0
dodecanophenone

A: 123-01-3
1-dodecylbenzene

B: 12,13-diphenyl-tetracosane

Conditions

Conditions	Yield
With copper oxide-chromium oxide at 165℃; under 102971 Torr; Hydrogenation;

: 108-86-1
bromobenzene

: 143-15-7
1-dodecylbromide

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With diethyl ether; sodium
With sodium; benzene

: 143-15-7
1-dodecylbromide

: 71-43-2
benzene

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With aluminium trichloride
aluminum (III) chloride at 80℃; Friedel Crafts Alkylation;

: 112-41-4
1-dodecene

: 71-43-2
benzene

A: 123-01-3
1-dodecylbenzene

B: 2719-61-1
2-phenyldodecane

Conditions

Conditions	Yield
acid treated montmorillonite K-10-AlCl3 Ambient temperature; Yield given. Yields of byproduct given;
With hexagonal mesoporous silica supported aluminium chloride for 0.5h; Catalytic behavior;

...Expand

: 7446-70-0
aluminium trichloride

: 143-15-7
1-dodecylbromide

: 71-43-2
benzene

A: 123-01-3
1-dodecylbenzene

B: 2719-62-2
6-phenyldodecane

...Expand

: 143-15-7
1-dodecylbromide

: 108-90-7
chlorobenzene

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
Stage #1: 1-dodecylbromide With magnesium In tetrahydrofuran Stage #2: chlorobenzene With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran Tamao-Kumada reaction;

: 112-41-4
1-dodecene

: 71-43-2
benzene

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With Me(C5H3)(CH2)4SO2Cl(1+)*CF3SO3(1-); scandium tris(trifluoromethanesulfonate) at 80℃; for 24h;
With commercial Beta-2 zeolite catalyst In decane at 120℃; under 22502.3 Torr; Time; Reagent/catalyst; Inert atmosphere;
With aluminum (III) chloride; water; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide at 35 - 80℃; Reagent/catalyst; Friedel-Crafts Alkylation;
With methanesulfonic acid at 60℃; for 5.5h; Inert atmosphere;

: 143-15-7
1-dodecylbromide

: 98-80-6
phenylboronic acid

A: 112-41-4
1-dodecene

B: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
With palladium diacetate; potassium tert-butylate; 1,3,5,7-tetramethyl-6-(4-methoxyphenyl)-2,4,8-trioxa-6-phosphaadamantane In 1,4-dioxane at 20℃; for 12h; Product distribution; Further Variations:; Reagents; Suzuki coupling;	A 26 % Chromat. B 64 % Chromat.

...Expand

: 112-16-3
n-dodecanoyl chloride

glycerol-1-caprinate-3-stearate: glycerol-1-caprinate-3-stearate

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: AlCl3 2: N2H4, KOH View Scheme

: 71-43-2
benzene

sulfur: sulfur

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: AlCl3 2: N2H4, KOH View Scheme

: 128780-75-6
1-Phenyl-4-nitro-3-dodecanone

: 123-01-3
1-dodecylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 96 percent / methanol / 10 h 2: 61 percent / LiAlH4 / tetrahydrofuran / 10 h / 60 °C View Scheme

: 2873-74-7
gloutaric dichloride

: 123-01-3
1-dodecylbenzene

: 87734-52-9
1,5-Bis-(4-dodecyl-phenyl)-pentane-1,5-dione

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane	100%

: 123-01-3
1-dodecylbenzene

: 598-21-0
2-Bromoacetyl bromide

: 4-n-dodecyl-α-bromoacetophenone

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at -10℃; Friedel-Crafts Acylation;	99%

: 123-01-3
1-dodecylbenzene

: 75-36-5
acetyl chloride

: 6313-88-8
4-dodecylacetophenone

Conditions

Conditions	Yield
aluminium trichloride In carbon disulfide 0 deg C, 1 h, RT, 2 h;	95%
With aluminum (III) chloride In dichloromethane at 0℃; for 1h;	95%
With aluminium trichloride In dichloromethane at -5 - 20℃; for 5h; Acylation; Friedel Crafts reaction;	78%

: 108-30-5
succinic acid anhydride

: 123-01-3
1-dodecylbenzene

: 133633-74-6
4-dimethylphenyl-4-oxobutanoic acid

Conditions

Conditions	Yield
Stage #1: succinic acid anhydride With aluminum (III) chloride In octane at 25℃; for 0.166667h; Stage #2: 1-dodecylbenzene In octane at 25℃; for 0.5h;	94%
With aluminium trichloride In carbon disulfide at 0 - 20℃;	64%
With aluminium trichloride In nitrobenzene for 1h; Ambient temperature;	55%
With aluminium trichloride

: 123-01-3
1-dodecylbenzene

A: 52047-59-3
2-(4-dodecylphenyl)-1H-indole

B: 6313-88-8
4-dodecylacetophenone

Conditions

Conditions	Yield
With hydrogenchloride; acetic anhydride; aluminium chloride In 1,2-dichloro-ethane	A n/a B 92%

: 123-01-3
1-dodecylbenzene

: 2905-61-5
2,5-dichlorobenzoyl chloride

: 1215213-40-3
2,5-dichloro-4'-dodecylbenzophenone

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 10 - 20℃; Friedel Crafts acylation;	92%

: 123-01-3
1-dodecylbenzene

: 598-21-0
2-Bromoacetyl bromide

: 1449766-35-1
2-bromo-1-(4-dodecylphenyl)ethanone

Conditions

Conditions	Yield
With aluminum (III) chloride In 1,2-dichloro-ethane at 0 - 20℃; for 4h;	91%

: 123-01-3
1-dodecylbenzene

: 684-16-2
Hexafluoroacetone

: 2092-83-3
4-dodecyl-α,α-bis(trifluoromethyl)benzyl alcohol

Conditions

Conditions	Yield
With aluminium trichloride In carbon disulfide Heating;	90%

: 17084-13-8
potassium hexafluorophosphate

: bromodicarbonyl(η5-pentamethylcyclopentadienyl)iron

: 123-01-3
1-dodecylbenzene

: (η6-dodecylbenzene)(η5-pentamethylcyclopentadienyl)iron hexafluorophosphate

Conditions

Conditions	Yield
With aluminium trichloride; aluminium In ammonia; water; decalin the Fe-complex, alkylbenzene, AlCl3, and Al were stirred (N2) and heated in decaline (180°C,12 h); after hydrolysis (0°C), aq. NH3 (pH=8) was added to remove Al(3+); after filtration, the prod. was pptd. by addn. of an aq. soln. of KPF6;; the ppt. was dissolved in CH2Cl2, dried with MgSO4, concnd., repptd. by addn. of excess dry pentane addn., and recrystd. from hot EtOH; IR and (1)H-NMR spectroscopy;;	90%

Yield

With aluminium trichloride; aluminium In ammonia; water; decalin the Fe-complex, alkylbenzene, AlCl3, and Al were stirred (N2) and heated in decaline (180°C,12 h); after hydrolysis (0°C), aq. NH3 (pH=8) was added to remove Al(3+); after filtration, the prod. was pptd. by addn. of an aq. soln. of KPF6;; the ppt. was dissolved in CH2Cl2, dried with MgSO4, concnd., repptd. by addn. of excess dry pentane addn., and recrystd. from hot EtOH; IR and (1)H-NMR spectroscopy;;

90%

...Expand

: 119-64-2
tetralin

: 123-01-3
1-dodecylbenzene

: 902260-62-2
acetoacetyl-tetrahydronaphthalene

Conditions

Conditions	Yield
	86%

: 123-01-3
1-dodecylbenzene

: 14564-74-0
potassium 4-dodecylbenzenesulfonate

Conditions

Conditions	Yield
Stage #1: 1-dodecylbenzene With sulfuric acid at 90℃; for 1h; Stage #2: With potassium hydroxide In water	84%

: 123-01-3
1-dodecylbenzene

: 4100-80-5
2-methylsuccinic anhydride

: 4-(4-Dodecyl-phenyl)-2-methyl-4-oxo-butyric acid

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane; nitrobenzene for 1h; Ambient temperature;	78%

: 108-31-6
maleic anhydride

: 123-01-3
1-dodecylbenzene

: 52497-79-7
(E)-4-(4-n-dodecylphenyl)-4-oxo-2-butenoic acid

Conditions

Conditions	Yield
Stage #1: maleic anhydride; 1-dodecylbenzene With aluminum (III) chloride In dichloromethane at 20℃; Friedel-Crafts acylation; Stage #2: With hydrogenchloride In dichloromethane; water Cooling with ice;	76%
With carbon disulfide; aluminium trichloride
With aluminium trichloride In dichloromethane Friedel-Crafts acylation;

: 430-97-7
(+/-)-2-fluoropropionyl chloride

: 123-01-3
1-dodecylbenzene

: 1-(4-dodecyl-phenyl)-2-fluoro-propan-1-one

Conditions

Conditions	Yield
With iron(III) chloride In dichloromethane at 0℃; for 24h; Acylation; Friedel-Crafts reaction;	72%

: 123-01-3
1-dodecylbenzene

: 3001-15-8
4,4'-diiodobiphenyl

: 102113-98-4
bis(biphenyl-4-yl)amine

: N,N,N',N'-tetra[(1,1'-biphenyl)-4-yl]-(1,1'-biphenyl)-4,4'-diamine

Conditions

Conditions	Yield
With potassium carbonate In 5,5-dimethyl-1,3-cyclohexadiene; toluene	71.7%

...Expand

: 123-01-3
1-dodecylbenzene

: 100-97-0
hexamethylenetetramine

: 110675-86-0
4-dodecylbenzaldehyde

Conditions

Conditions	Yield
With trifluoroacetic acid at 80℃; Heating;	70%

: 108-55-4
glutaric anhydride,

: 123-01-3
1-dodecylbenzene

: 5-(4-Dodecyl-phenyl)-5-oxo-pentanoic acid

Conditions

Conditions	Yield
With aluminium trichloride; 1,1,2,2-tetrachloroethane In nitrobenzene for 1h; Ambient temperature;	70%

Dodecylbenzene Chemical Properties

Molecular Structure of Dodecylbenzene (CAS No.123-01-3):

Molecular Formula: C₁₈H₃₀
Molecular Weight: 246.4308
IUPAC Name: Dodecylbenzene
CAS No: 123-01-3
EINECS: 204-591-8
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 11
Polar Surface Area: 0 Å²
Index of Refraction: 1.483
Molar Refractivity: 82.13 cm³
Molar Volume: 287.3 cm³
Surface Tension: 31.6 dyne/cm
Density: 0.857 g/cm³
Flash Point: 144.8 °C
Melting Point: -7 °C
Enthalpy of Vaporization: 55.13 kJ/mol
Boiling Point: 331.4 °C at 760 mmHg
Vapour Pressure: 0.0003 mmHg at 25°C
Solubility: Insoluble in water
Stability of Dodecylbenzene (CAS No.123-01-3): Stable. Incompatible with strong oxidizing agents. Combustible.

Dodecylbenzene History

1-Phenyldodecane (CAS No.123-01-3) was brought to market after SRI (Stanford Research Institute) did scientific and business consulting work on it in 1948 for Chevron. Dodecyl benzene was the basis for the first successful household detergent, Tide.

Dodecylbenzene Production

As a liquid aromatic compound, Dodecylbenzene (CAS No.123-01-3) is used to prepare an anionic detergent dodecylbenzene sodium sulfonate. It is a petrochemical-derived substitute for the tallow and coconut oil used in making soap.

Dodecylbenzene Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 10mL/kg (10mL/kg)	LIVER: OTHER CHANGES	AMA Archives of Industrial Health. Vol. 19, Pg. 403, 1959.

Dodecylbenzene Consensus Reports

1-Phenyldodecane (CAS No.123-01-3) is reported in EPA TSCA Inventory.

Dodecylbenzene Safety Profile

Safety Information of Dodecylbenzene (CAS No.123-01-3):
RIDADR: UN 3082 9/PG 3
WGK Germany: 1
RTECS: CZ9540000

Dodecylbenzene Specification

Dodecylbenzene (CAS No.123-01-3), it also can be called Tetrapropylenebenzene ; Benzene, dodecyl- ; Dodecane, 1-phenyl- ; Dodecane, 1-phenyl- (8CI) ; Dodecane, phenyl- .It is colorless liquid with a weak oily odor, and it can floats on water.It will causes mild irritation of eyes and may cause allergenic responses on repeated contact with skin, and if Ingestion will causes nausea. Dodecylbenzene (CAS No.123-01-3) can cause vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as Dodecylbenzene , and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

Product Name

Dodecylbenzene

Synthetic route

Dodecylbenzene Chemical Properties

Dodecylbenzene History

Dodecylbenzene Production

Dodecylbenzene Toxicity Data With Reference

Dodecylbenzene Consensus Reports

Dodecylbenzene Safety Profile

Dodecylbenzene Specification

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