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142-87-0

Basic Information
CAS No.: 142-87-0
Name: SODIUM DECYL SULFATE
Article Data: 5
Molecular Structure:
Molecular Structure of 142-87-0 (SODIUM DECYL SULFATE)
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: HarmfulXn
Risk Codes: 22-38-41
Safety: 26-36/37/39
PSA: 74.81000
LogP: 3.68470
Synthetic route
112-30-1

1-Decanol

142-87-0

Sulfuric acid, monodecyl ester, sodium salt

Conditions
ConditionsYield
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;
β-cyclodextrin, 1:1 complex with NaSO4C10H21

β-cyclodextrin, 1:1 complex with NaSO4C10H21

A

142-87-0

Sulfuric acid, monodecyl ester, sodium salt

B

β-cyclodextrin

β-cyclodextrin

Conditions
ConditionsYield
In water at 25℃; Equilibrium constant; dissociation;

C44H84N4(2+)*2Br(1-)

142-87-0

Sulfuric acid, monodecyl ester, sodium salt

C44H84N4(2+)*2C10H21O4S(1-)

Conditions
ConditionsYield
In methanol; dichloromethane at 20℃; for 1h;73%

C64H95N2O6S(1+)*I(1-)

142-87-0

Sulfuric acid, monodecyl ester, sodium salt

C64H95N2O6S(1+)*C10H21O4S(1-)

Conditions
ConditionsYield
In methanol at 60℃; for 2h;72%

C48H92N4(2+)*2Br(1-)

142-87-0

Sulfuric acid, monodecyl ester, sodium salt

C48H92N4(2+)*2C10H21O4S(1-)

Conditions
ConditionsYield
In methanol; dichloromethane at 20℃; for 1h;52%

1,6-bis(1'-tetradecylimidazolium-3'-yl)hexane dibromide

142-87-0

Sulfuric acid, monodecyl ester, sodium salt

C40H76N4(2+)*2C10H21O4S(1-)

Conditions
ConditionsYield
In methanol; dichloromethane at 20℃; for 1h;49%
142-87-0

Sulfuric acid, monodecyl ester, sodium salt

112-30-1

1-Decanol

Conditions
ConditionsYield
With water-d2 at 50 - 105℃; Kinetics; variation of pH;
142-87-0

Sulfuric acid, monodecyl ester, sodium salt

β-cyclodextrin

β-cyclodextrin

β-cyclodextrin, 1:1 complex with NaSO4C10H21

β-cyclodextrin, 1:1 complex with NaSO4C10H21

Conditions
ConditionsYield
In water at 25℃; Equilibrium constant; Thermodynamic data; association;
142-87-0

Sulfuric acid, monodecyl ester, sodium salt

10042-88-3

terbium(III) chloride

Tb(III) decylsulfate

Conditions
ConditionsYield
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.;
142-87-0

Sulfuric acid, monodecyl ester, sodium salt

iron(II) sulfate

Fe(C10H21OSO3)2*6H2O

Conditions
ConditionsYield
In water (ar); stirring for 1 h at room temp.; filtration, washing (water);
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    Product Name: SODIUM DECYL SULFATE CAS: 142-87-0 MF: C10H21NaO4S MW: 260.33 EINECS: 205-568-5 Product Categories: Mol File: 142-87-0.mol SODIUM DECYL SULFATE Structure SODIUM DECYL SULFATE Chemical Properties Melting point

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  • SODIUM DECYL SULFATE

  • Casno:

    142-87-0

    SODIUM DECYL SULFATE

    Min.Order: 0

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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.