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Cas Database |
| 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 | 216.277 | Flash Point | N/A |
| Transport Information | N/A | Appearance | white powder |
| Safety | 22-24/25-45-36/37/39-26-16 | Risk Codes | 36/37/38-34-11 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, F, C
|
| 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; |
Article Data | 4 |
Sodium 1-octanesulfonate Synthetic route
| 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 | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In water under 41371.8 Torr; for 2h; Ambient temperature; |
| 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 | 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 | 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 | 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 | 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
- 1172640-53-7
C8H17O3S(1-)*C29H18N(1+)
| Conditions | Yield |
|---|---|
| for 6h; Reflux; | 93% |
- 5324-84-5
sodium octylsulfonate
- 1293990-65-4
2-phenyl-9-tetradecyl-benzo[8,9]quinolizino[4,5,6,7-fed]phenanthridinylium octanesulfonate
| Conditions | Yield |
|---|---|
| In methanol for 6h; Reflux; | 86% |
- 5324-84-5
sodium octylsulfonate
- 25316-40-9
doxorubicin hydrochloride
- 114370-94-4
doxorubicin octanesulfonate
| Conditions | Yield |
|---|---|
| In water at 20℃; for 2.5h; | 85% |
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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