CAS No.5324-84-5,Sodium 1-octanesulfonate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5324-84-5
Name:	Sodium 1-octanesulfonate
Article Data:	4

Formula:	C₈H₁₇NaO₃S
Molecular Weight:	216.277
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;
EINECS:	226-195-4
Density:	1.084g/cm3
Melting Point:	>300 °C
Boiling Point:	>300 °C
Solubility:	Soluble in water producing a clear and colorless solution.
Appearance:	white powder
Hazard Symbols:	Xi,F,C
Risk Codes:	36/37/38-34-11
Safety:	22-24/25-45-36/37/39-26-16
PSA:	65.58000
LogP:	2.97290

Synthetic route

: 111-83-1
1-bromo-octane

: 5324-84-5
sodium octylsulfonate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In methanol for 6h; Reflux;	86%

: 5324-84-5
sodium octylsulfonate

: 25316-40-9
doxorubicin hydrochloride

: 114370-94-4
doxorubicin octanesulfonate

Conditions

Conditions	Yield
In water at 20℃; for 2.5h;	85%

Raw Materials

111-83-1

111-66-0

Downstream Products

7795-95-1

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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