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| CAS No.: | 142-31-4 |
|---|---|
| Name: | Sodium octyl sulfate |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H17NaO4S |
| Molecular Weight: | 232.276 |
| Synonyms: | Texapon 842;Octylsodium sulfate (6CI,7CI);Sulfuric acid, monooctyl ester, sodium salt(8CI,9CI);Cycloryl OS;Disponil SOS 842;Duponol 80;Polystep B 29;SOS;SipexOLS;Sodium capryl sulfate;Sodium n-octyl sulfate;Sulfochem NOS; |
| EINECS: | 205-535-5 |
| Density: | 1.04 |
| Melting Point: | 195 °C (dec.)(lit.) |
| Flash Point: | 93.3°C |
| Solubility: | soluble in water |
| Appearance: | white solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 74.81000 |
| LogP: | 2.90450 |
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| Conditions | Yield |
|---|---|
| Stage #1: octanol With sodium hydride In 1,4-dioxane at 20℃; for 1h; Stage #2: With triethylamine sulfurtrioxide In 1,4-dioxane at 20℃; | 96% |
| With chlorosulfonic acid; sodium hydroxide 1.) 30 min, 5 deg C, CH2Cl2; Multistep reaction; |
A
- 142-31-4
sodium octyl sulphate
| Conditions | Yield |
|---|---|
| In water at 25℃; Equilibrium constant; dissociation; |
- 142-31-4
sodium octyl sulphate
- 21032-39-3
3-(butoxycarbonyl)-1-methylpyridinium iodide
- 1048382-81-5
3-(butoxycarbonyl)-1-methylpyridinium octyl sulfate
| Conditions | Yield |
|---|---|
| In water for 0.166667h; | 100% |
- 1122146-85-3
3-methyl-1-(propoxyethoxyethoxycarbonylmethyl)imidazolium bromide
- 142-31-4
sodium octyl sulphate
- 1122146-91-1
3-methyl-1-(propoxyethoxyethoxycarbonylmethyl)imidazolium octylsulfate
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 98% |
- 142-31-4
sodium octyl sulphate
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 98% |
- 142-31-4
sodium octyl sulphate
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 97% |
- 1122146-50-2
3-methyl-1-(ethoxyethoxycarbonylmethyl)imidazolium bromide
- 142-31-4
sodium octyl sulphate
- 1122146-56-8
3-methyl-1-(ethoxyethoxycarbonylmethyl)imidazolium octylsulfate
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 96% |
- 808184-34-1
1-methyl-3-(pentoxycarbonylmethyl)imidazolium bromide
- 142-31-4
sodium octyl sulphate
- 911066-18-7
1-methyl-3-(pentoxycarbonylmethyl)imidazolium octylsulfate
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 96% |
- 1122146-43-3
3-methyl-1-(methoxyethoxycarbonylmethyl)imidazolium bromide
- 142-31-4
sodium octyl sulphate
- 1122146-49-9
3-methyl-1-(methoxyethoxycarbonylmethyl)imidazolium octylsulfate
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 95% |
- 1122147-13-0
2,3-dimethyl-1-(methoxyethoxyethoxycarbonylmethyl)imidazolium bromide
- 142-31-4
sodium octyl sulphate
- 1122147-19-6
2,3-dimethyl-1-(methoxyethoxyethoxycarbonylmethyl)imidazolium octylsulfate
| Conditions | Yield |
|---|---|
| In water at 60℃; for 2h; | 94% |
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Consensus Reports
Specification
The Octyl sodium sulfate is an organic compound with the formula C8H17NaO4S. The IUPAC name of this chemical is sodium octyl sulfate. With the CAS registry number 142-31-4, it is also named as Sulphuric acid, monooctyl ester, sodium salt. The product's classification code is Drug / Therapeutic Agent. Besides, it is a white solid, which should be stored in a closed and cool place. It is used for biochemical studies and surfactants.
Physical properties about Octyl sodium sulfate are: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): -0.23; (3)ACD/LogD (pH 7.4): -0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)OCCCCCCCC
(2)InChI: InChI=1/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
(3)InChIKey: WFRKJMRGXGWHBM-REWHXWOFAY
(4)Std. InChI: InChI=1S/C8H18O4S.Na/c1-2-3-4-5-6-7-8-12-13(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
(5)Std. InChIKey: WFRKJMRGXGWHBM-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 396mg/kg (396mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 283, 1953. |
| rat | LD50 | oral | 3200mg/kg (3200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: GASTRITIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 283, 1953. |