CAS No.556-76-3,SODIUM DODECYL SULFATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	556-76-3
Name:	SODIUM DODECYL SULFATE

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

Synthetic route

: 556-76-3
sodium pentyl sulfate

: 628-05-7
1-nitropentane

Conditions

Conditions	Yield
With potassium nitrate; sodium nitrite at 215℃; Yield given;

: 556-76-3
sodium pentyl sulfate

: 7757-83-7
sodium sulfite

: 22767-49-3
sodium pentane-1-sulfonate

Conditions

Conditions	Yield
In water 110-130°C, 4-5 h;
In water 110-130°C, 4-5 h;

: 556-76-3
sodium pentyl sulfate

: 10042-88-3
terbium(III) chloride

: Tb(III) amylsulfate

Conditions

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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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