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| CAS No.: | 556-76-3 |
|---|---|
| Name: | SODIUM DODECYL SULFATE |
| Molecular Structure: | |
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|
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| Formula: | C5H11NaO4S |
| Molecular Weight: | 190.196 |
| Synonyms: | Pentylsodium sulfate (6CI,7CI);Sulfuric acid, monopentyl ester, sodium salt(8CI,9CI);Pentyl sodium sulphate;Sodium amyl sulfate;Sodium pentyl sulfate; |
| EINECS: | 209-140-9 |
| Density: | 1.03 g/mL at 20 °C |
| Melting Point: | 204-207 °C(lit.) |
| Solubility: | Soluble in water. |
| Appearance: | White powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37 |
| PSA: | 74.81000 |
| LogP: | 1.73420 |
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| Conditions | Yield |
|---|---|
| With potassium nitrate; sodium nitrite at 215℃; Yield given; |
| Conditions | Yield |
|---|---|
| In water 110-130°C, 4-5 h; | |
| In water 110-130°C, 4-5 h; |
| 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.; |
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- Total:23 Page 1 of 1 1
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Specification
The Sulfuric acid,monopentyl ester, sodium salt (1:1) is an organic compound with the formula C5H11NaO4S. The IUPAC name of this chemical is sodium pentyl sulfate. With the CAS registry number 556-76-3, it is also named as n-Pentyl sulfate sodium salt. Besides, it is a white powder, which should be stored in a cool and well-ventilated place.
Physical properties about Sulfuric acid,monopentyl ester, sodium salt (1:1) are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): -1.82; (3)ACD/LogD (pH 7.4): -1.82; (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: 5; (11)Polar Surface Area: 71.98 Å2.
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 protective clothing and gloves. 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-])OCCCCC
(2)InChI: InChI=1/C5H12O4S.Na/c1-2-3-4-5-9-10(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
(3)InChIKey: KLZYTGLGWPHIDV-REWHXWOFAH
(4)Std. InChI: InChI=1S/C5H12O4S.Na/c1-2-3-4-5-9-10(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
(5)Std. InChIKey: KLZYTGLGWPHIDV-UHFFFAOYSA-M