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Sodium 1-octanesulfonate

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Name

Sodium 1-octanesulfonate

EINECS 226-195-4
CAS No. 5324-84-5 Density 1.084g/cm3
PSA 65.58000 LogP 2.97290
Solubility Soluble in water producing a clear and colorless solution. Melting Point >300 °C
Formula C8H17NaO3S Boiling Point >300 °C
Molecular Weight 216.27 Flash Point
Transport Information Appearance white powder
Safety 22-24/25-45-36/37/39-26-16 Risk Codes 36/37/38-34-11
Molecular Structure Molecular Structure of 5324-84-5 (1-Octanesulfonic acid,sodium salt (1:1)) Hazard Symbols IrritantXi,FlammableF,CorrosiveC
Synonyms

1-Octanesulfonicacid, sodium salt (7CI,8CI,9CI);Bio-Terge PAS 8;Bio-Terge PAS 8SF;NAS 8RF;NAS-FAL;Sodium n-octanesulfonate;Sodiumn-octylsulfonate;Sodium octanesulfonate;Sodium octylsulfonate;1-Octanesulfonic acid sodium salt;Sodium-1-octane sulfonate;

 

Sodium 1-octanesulfonate Synthetic route

111-83-1

1-bromo-octane

5324-84-5

sodium octylsulfonate

Conditions
ConditionsYield
With water; sodium sulfite at 180 - 200℃;
With sodium sulfite In water for 24h; Heating;
83633-61-8

Sodium trans-1-octene-1-sulfonate

5324-84-5

sodium octylsulfonate

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In water under 41371.8 Torr; for 2h; Ambient temperature;
111-66-0

oct-1-ene

nickel carbonyl

nickel carbonyl

5324-84-5

sodium octylsulfonate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 49 percent / benzoyl peroxide / benzene / 20 h / Heating
2: 98 percent / NaI / acetone / 1 h / Ambient temperature
3: 88 percent / PCl5
4: 55 percent / Et3N / benzene
5: 78 percent / NaHCO3 / H2O / 1 h / Heating
6: H2 / 10percent Pd/C / H2O / 2 h / 41371.8 Torr / Ambient temperature
View Scheme
83633-59-4

trans-1-Octene-1-sulfonyl chloride

5324-84-5

sodium octylsulfonate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 78 percent / NaHCO3 / H2O / 1 h / Heating
2: H2 / 10percent Pd/C / H2O / 2 h / 41371.8 Torr / Ambient temperature
View Scheme
83633-57-2

2-Chlorooctane-1-sulfonyl chloride

5324-84-5

sodium octylsulfonate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 55 percent / Et3N / benzene
2: 78 percent / NaHCO3 / H2O / 1 h / Heating
3: H2 / 10percent Pd/C / H2O / 2 h / 41371.8 Torr / Ambient temperature
View Scheme
83633-53-8

Methyl 2-chlorooctane-1-sulfonate

5324-84-5

sodium octylsulfonate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 98 percent / NaI / acetone / 1 h / Ambient temperature
2: 88 percent / PCl5
3: 55 percent / Et3N / benzene
4: 78 percent / NaHCO3 / H2O / 1 h / Heating
5: H2 / 10percent Pd/C / H2O / 2 h / 41371.8 Torr / Ambient temperature
View Scheme
83633-55-0

Sodium 2-chlorooctane-1-sulfonate

5324-84-5

sodium octylsulfonate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 88 percent / PCl5
2: 55 percent / Et3N / benzene
3: 78 percent / NaHCO3 / H2O / 1 h / Heating
4: H2 / 10percent Pd/C / H2O / 2 h / 41371.8 Torr / Ambient temperature
View Scheme
5324-84-5

sodium octylsulfonate

2-phenylbenzo<1,2>quinolyzino<3,4,5,6-def>phenanthridinium tetrafluoroborate

1172640-53-7

C8H17O3S(1-)*C29H18N(1+)

Conditions
ConditionsYield
for 6h; Reflux;93%

2-phenyl-9-tetradecylbenzo[8,9]quinolizino[4,5,6,7-fed]phenanthridinylium chloride

5324-84-5

sodium octylsulfonate

1293990-65-4

2-phenyl-9-tetradecyl-benzo[8,9]quinolizino[4,5,6,7-fed]phenanthridinylium octanesulfonate

Conditions
ConditionsYield
In methanol for 6h; Reflux;86%
5324-84-5

sodium octylsulfonate

25316-40-9

doxorubicin hydrochloride

114370-94-4

doxorubicin octanesulfonate

Conditions
ConditionsYield
In water at 20℃; for 2.5h;85%
1456904-77-0

1,2-dimethyl-3-[2-oxo-2-(1-piperidinyl)ethyl]-1H-imidazolium bromide

5324-84-5

sodium octylsulfonate

1,2-dimethyl-3-[2-oxo-2-(1-piperidinyl)ethyl]-1H-imidazolium octylsulfate

Conditions
ConditionsYield
In water at 20℃; for 24h;79%
5324-84-5

sodium octylsulfonate

152071-32-4

methylene blue

methylene blue octanesulfonate salt

Conditions
ConditionsYield
In dichloromethane; water for 24h; Reflux;75%

6NO3(1-)*H2O*4HO(1-)*4O(2-)*6Bi(3+)

5324-84-5

sodium octylsulfonate

67-68-5

dimethyl sulfoxide

45O(2-)*10NO3(1-)*38Bi(3+)*28C2H6OS*14C6H13O3S(1-)

Conditions
ConditionsYield
In neat (no solvent) at 80℃; for 4h;64%
5324-84-5

sodium octylsulfonate

iron(II) chloride

Fe(2+)*2CH3(CH2)7SO3(1-)*6H2O=Fe(CH3(CH2)7SO3)2*6H2O

Conditions
ConditionsYield
With ascorbic acid In water stirring iron salt and sodium salt in water containing ascorbic acid; filtration, drying in vac. over P2O5; elem. anal.;60%
5324-84-5

sodium octylsulfonate

822-27-5

dioctyl disulfide

Conditions
ConditionsYield
With polyphosphoric acid ethyl ester; tetra-(n-butyl)ammonium iodide; potassium iodide In chloroform for 2h; Heating;47%

(1-(tert-butylperoxy)-3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzene

5324-84-5

sodium octylsulfonate

3,4-bis(octylsulfonyl)-2-(perfluoroethyl)-5-phenylfuran

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; caesium carbonate In tert-butyl alcohol at 70℃; for 24h; regioselective reaction;37%
5324-84-5

sodium octylsulfonate

114-07-8

erythromycin

6-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; compound with octane-1-sulfonic acid

Conditions
ConditionsYield
With phosphate buffer pH=5.5; ion pair formation;
5324-84-5

sodium octylsulfonate

7795-95-1

octane-1-sulfonyl chloride

Conditions
ConditionsYield
With thionyl chloride In benzene for 4h; Heating;
In thionyl chloride; diethyl ether
5324-84-5

sodium octylsulfonate

50-01-1

guanidine hydrochloride

octane-1-sulfonic acid; compound with guanidine

Conditions
ConditionsYield
Stage #1: sodium octylsulfonate With silver nitrate In ethanol at 20℃;
Stage #2: guanidine hydrochloride In ethanol at 20℃;
5324-84-5

sodium octylsulfonate

octane-1-sulfonic acid (2-oxo-tetrahydro-furan-3-yl)-amide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride / benzene / 4 h / Heating
2: 1,8-diazabicyclo[5.4.0]-undec-7-ene; 4-dimethylaminopyridine / CH2Cl2 / 24 h / 20 °C
View Scheme

trihydroxonitratodicopper(II)

5324-84-5

sodium octylsulfonate

copper (II) hydroxide octylsulfonate

Conditions
ConditionsYield
In water 0.2 g of Cu2(OH)3NO3 and 0.1 M NaC8H17SO3 dispersed in distd. water (100ml); stirred in air-free flask for 48 h at room temp.; fintrn.; washing with distd. water and ethanol; dried in vacuum at 35°C; IR; chem.anal.;
In water Cu2(OH)3NO3 (0.2 g) and NaC8H17SO3 (0.1 mol) dispersed in H2O, stirred in air-free flask for 48 h at room temp.; filtered, washed (H2O and C2H5OH), dried in vac. at 35°C; elem.anal.;

aluminum(III) nitrate nonahydrate

copper(II) nitrate hexahydrate

5324-84-5

sodium octylsulfonate

1310-73-2

sodium hydroxide

[Cu0.69Al0.31(OH)2](0.31+)*0.31CH3(CH2)7SO3(1-)*0.97H2O=[Cu0.69Al0.31(OH)2](CH3(CH2)7SO3)031*0.97H2O

Conditions
ConditionsYield
In water decarbonated aq. soln. of Cu(NO3)2*6H2O and Al(NO3)3*9H2O added dropwiseto decarbonated aq. soln. of CH3(CH2)7SO3; mixed and co-pptd. with NaOH ; suspension stirred for 24 h under inert atm. (N2) at room temp.; washed (decarbonated H2O); dried under vac.; XRD; elem. anal.;

bis(ethylenediamine)palladium(II) dibromide

5324-84-5

sodium octylsulfonate

7726-95-6

bromine

[Pd(ethylenediamine)2][PdBr2(ethylenediamine)](octylsulfonate)4*2H2O

Conditions
ConditionsYield
In water Br2 gas diffused to aq. soln. contg. C8H17SO3Na and Pd complex;

gadolinium hydroxynitrate hydrate

5324-84-5

sodium octylsulfonate

gadolinium hydroxy(octanesulfonate) sesquihydrate

Conditions
ConditionsYield
In water heated at 60°C for 1-10 h in air; filtered off, washed (water), dried at40°C for 1 d, elem. anal.;

ammonium pillar[5]arene

5324-84-5

sodium octylsulfonate

10Br(1-)*C8H17O3S(1-)*C85H150N10O10(10+)*Na(1+)

Conditions
ConditionsYield
In water-d2 at 19.84℃; Equilibrium constant; Concentration;

aluminum(III) nitrate nonahydrate

zinc(II) nitrate hexahydrate

5324-84-5

sodium octylsulfonate

6358-69-6

8-hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt

1310-73-2

sodium hydroxide

Zn0.718Al0.282(OH)2(octanesulfonate)0.166(8-hydroxypyrene-1,3,6-trisulphonate)0.0181(CO3)0.0119(NO3)0.0380*0.94H2O

Conditions
ConditionsYield
In ethanol; water High Pressure; salts dissolved in aq. EtOH; pH adjusted to 5.5 (0.5 M NaOH) under N2 atm.; mixt. aged in autoclave at 80°C for 24 h;

aluminum(III) nitrate nonahydrate

zinc(II) nitrate hexahydrate

5324-84-5

sodium octylsulfonate

6358-69-6

8-hydroxy-1,3,6-pyrenetrisulfonic acid trisodium salt

1310-73-2

sodium hydroxide

Zn0.696Al0.304(OH)2(octanesulfonate)0.201(8-hydroxypyrene-1,3,6-trisulphonate)0.0102(CO3)0.0117(NO3)0.0490*1.08H2O

Conditions
ConditionsYield
In ethanol; water High Pressure; salts dissolved in aq. EtOH; pH adjusted to 5.5 (0.5 M NaOH) under N2 atm.; mixt. aged in autoclave at 80°C for 24 h;

Sodium 1-octanesulfonate Specification

The IUPAC name of 1-Octanesulfonic acid sodium salt is sodium octane-1-sulfonate. With the CAS registry number 5324-84-5, it is also named as Sodium 1-octanesulfonate. The product's categories are Alkyl Aryl Sodium Sulfonate Series; Analytical Chemistry; HPLC Ion-Pair Reagents for Basic Samples; Ion-Pair Reagents for HPLC; Alkyl SulfonatesResearch Essentials; Detergents A to Z; DetergentsDetergents; Anionic; Core Bioreagents; Detergents, and the other registry number is 163883-56-5. Besides, it is white powder, which should be stored in sealed container in dark, dry and cool place. In addition, this chemical is stable and incompatible with strong oxidizing agents.

The other characteristics of 1-Octanesulfonic acid sodium salt can be summarized as: (1)EINECS: 226-195-4; (2)ACD/LogP: 1.83; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.44; (5)ACD/LogD (pH 7.4): -1.67; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 7; (13)Polar Surface Area: 62.75 Å2; (14)Melting Point: >300 °C; (15)Boiling Point: >300 °C.

When you are using this chemical, please be cautious about it as the following: it is highly flammable which may cause burns. Please keep away from sources of ignition. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. And please do not breathe dust. Moreover, please avoid contact with skin and eyes. Furthermore, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].O=S(=O)([O-])CCCCCCCC
(2)InChI: InChI=1/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
(3)InChIKey: HRQDCDQDOPSGBR-REWHXWOFAR
(4)Std. InChI: InChI=1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
(5)Std. InChIKey: HRQDCDQDOPSGBR-UHFFFAOYSA-M

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