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| CAS No.: | 142-87-0 |
|---|---|
| Name: | SODIUM DECYL SULFATE |
| Molecular Structure: | |
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|
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| Formula: | C10H22O4S.Na |
| Molecular Weight: | 260.33 |
| Synonyms: | Decylsodium sulfate (6CI);Sulfuric acid, monodecyl ester, sodium salt (8CI,9CI);Avirol 110;Compound 132D;DSS (surfactant);Decyl sulfate sodium salt;Emal 3F;Pentrone DN;Polystep B 25;Sodium decyl sulfate;Sodiumhydrogen sulfate decyl ester;Sodium n-decyl sulfate;Sulfochem NADS;Sulfotex110;Sulfuric acid, monodecyl ester, sodium salt; |
| EINECS: | 205-568-5 |
| Density: | 1.209[at 20℃] |
| Melting Point: | 192°C(lit.) |
| Appearance: | white solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-38-41 |
| Safety: | 26-36/37/39 |
| PSA: | 74.81000 |
| LogP: | 3.68470 |
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| Conditions | Yield |
|---|---|
| With sodium hydroxide; chlorosulphuric acid 1.) ether, 20 deg C, 2.) up to pH 8; Multistep reaction; | |
| With chlorosulfonic acid; sodium hydroxide 1>) 30 min, 5 deg C, CH2Cl2; Multistep reaction; | |
| With sulfur trioxide In trifluoroacetic acid-methyl ester | |
| With sulfur trioxide In Methyl trichloroacetate | |
| Stage #1: 1-Decanol With pyridine; aminosulfonic acid at 95℃; for 16h; Microwave irradiation; Stage #2: With sodium carbonate In methanol; water at 20℃; for 0.5h; Stage #3: With sodium sulfate In methanol; water at 20℃; for 0.333333h; |
A
- 142-87-0
Sulfuric acid, monodecyl ester, sodium salt
| Conditions | Yield |
|---|---|
| In water at 25℃; Equilibrium constant; dissociation; |
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane at 20℃; for 1h; | 73% |
- 142-87-0
Sulfuric acid, monodecyl ester, sodium salt
| Conditions | Yield |
|---|---|
| In methanol at 60℃; for 2h; | 72% |
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane at 20℃; for 1h; | 52% |
- 142-87-0
Sulfuric acid, monodecyl ester, sodium salt
| Conditions | Yield |
|---|---|
| In methanol; dichloromethane at 20℃; for 1h; | 49% |
| Conditions | Yield |
|---|---|
| With water-d2 at 50 - 105℃; Kinetics; variation of pH; |
- 142-87-0
Sulfuric acid, monodecyl ester, sodium salt
| Conditions | Yield |
|---|---|
| In water at 25℃; Equilibrium constant; Thermodynamic data; association; |
- 142-87-0
Sulfuric acid, monodecyl ester, sodium salt
- 10042-88-3
terbium(III) chloride
| Conditions | Yield |
|---|---|
| In ethanol byproducts: NaCl; equimolar amts. of sodium alkylsulfate and TbCl3 were mixed at -20°C; ppt. of NaCl filtered off, filtrate evapd., dried in vacuo over P2O5; elem. anal.; |
| Conditions | Yield |
|---|---|
| In water (ar); stirring for 1 h at room temp.; filtration, washing (water); |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The IUPAC name of Sulfuric acid, monodecyl ester, sodium salt is sodium decyl sulfate. With the CAS registry number 142-87-0, it is also named as Decyl sodium sulfate. The product's classification code is Drug / Therapeutic Agent. Besides, it is white solid, which should be stored in sealed, dry and cool place. It is stable and incompatible with oxidizing agents, acids. In addition, its molecular formula is C10H21NaO4S and molecular weight is 260.33. This chemical can be used as an anionic surfactant in cosmetics, detergents and emulsifiers.
The other characteristics of Sulfuric acid, monodecyl ester, sodium salt can be summarized as: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.71; (8)ACD/KOC (pH 7.4): 1.71; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 71.98 Å2; (13)EINECS: 205-568-5.
When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It is also irritating to skin and risk of serious damage to the eyes. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[O-]S(=O)(=O)OCCCCCCCCCC
(2)InChI: InChI=1/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
(3)InChIKey: XZTJQQLJJCXOLP-REWHXWOFAX
(4)Std. InChI: InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
(5)Std. InChIKey: XZTJQQLJJCXOLP-UHFFFAOYSA-M
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 284mg/kg (284mg/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. |
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00153, | |
| rat | LD50 | oral | 1950mg/kg (1950mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: GASTRITIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 283, 1953. |