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2386-53-0

2386-53-0 Structure

2386-53-0 Structure
IdentificationMore
[Name]

1-DODECANESULFONIC ACID SODIUM SALT
[CAS]

2386-53-0
[Synonyms]

1-DODECANESULFONATE, SODIUM SALT
1-DODECANESULFONIC ACID
1-DODECANESULFONIC ACID SODIUM SALT
1-DODECANESULFONIC ACID, SODIUM SALT, MONOHYDRATE
1-DODECANESULPHONATE, SODIUM SALT
DODECANE-1-SULFONIC ACID SODIUM SALT
IPC-ALKS-12
LAURYL SODIUM SULFONATE
LAURYLSULFONIC ACID SODIUM SALT
SODIUM 1-DODECANESULFONATE
SODIUM 1-DODECANESULPHONATE
SODIUM DODECANE-1-SULFONATE
SODIUM DODECANESULFONATE
SODIUM LAURYLSULFONATE
Dodecylsulfonicacid,sodiumsalt
Dodecylsulfonicacidsodiums
Sodiumdodecylsulfonate
1-Dodecanesulfonic acid sodium salt ion pair
1-Dodecanesulphonic acid sodium salt
Sodium 1-dodecanAV12830
[EINECS(EC#)]

219-200-6
[Molecular Formula]

C12H25NaO3S
[MDL Number]

MFCD00007527
[Molecular Weight]

272.38
[MOL File]

2386-53-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to light cream powder
[Melting point ]

>300 °C(lit.)
[bulk density]

330kg/m3
[storage temp. ]

no restrictions.
[solubility ]

H2O: soluble25mg/mL
[Colour Index ]

45400
[form ]

Powder
[color ]

White to light cream
[PH]

5.5-7.5 (100g/l, H2O, 20℃)
[PH Range]

5.5 - 7.5 (100 g/l, H2O, 20 °C)
[Water Solubility ]

Soluble in water.
[BRN ]

3919536
[InChI]

InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
[InChIKey]

OJSPTTMCDYBOPN-UHFFFAOYSA-M
[SMILES]

C(CCS([O-])(=O)=O)CCCCCCCCC.[Na+]
[CAS DataBase Reference]

2386-53-0(CAS DataBase Reference)
[EPA Substance Registry System]

Sodium laurylsulfonate (2386-53-0)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29049090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ethyl acetate-->Sodium sulfite-->1-Bromododecane-->Water
[Preparation Products]

self crosslinked type polyacrylate salt super absorbent-->dacron oiling agent JD5B-2
Hazard InformationBack Directory
[Chemical Properties]

white to light cream powder
[Uses]

suzuki reaction
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 25, p. 1901, 1960 DOI: 10.1021/jo01081a019
[General Description]

Sodium 1-dodecanesulfonate is an ion-pairing reagent and increases the retention of thiabendazole on the HPLC column during determination of thiabendazole in citrus fruit and banana. It is a surfactant standard.
[Synthesis]

1-Bromododecane

143-15-7

1-DODECANESULFONIC ACID SODIUM SALT

2386-53-0

The general procedure for the synthesis of sodium dodecyl sulfonate from bromododecane was as follows: to a 250 mL round bottom flask was added an ethanol solution (40 mL) of 1-bromododecane (5 g, 20.06 mmol, 1.00 eq.) and an aqueous solution (40 mL) of sodium sulfite (5.2 g, 2.00 eq.). The resulting mixture was heated and reacted at 80 °C overnight. After completion of the reaction, the mixture was cooled to room temperature and extracted with ethyl acetate (100 mL x 2). The organic phases were combined, washed with saturated saline (30 mL x 2), dried over anhydrous sodium sulfate for 15 min, and concentrated under reduced pressure to give the crude product. The crude product was ground with hexane-methanol mixed solvent (20 mL×3) to obtain sodium dodecyl sulfate (5.2 g, 92% yield) as a white solid.

[Purification Methods]

Recrystallise it twice from EtOH and dry it in an oven at 105o for 2hours. It picks up moisture to form the 3.5H2O. Its hydrate crystallises in several phases. [Tartar & Wright J Am Chem Soc 61 543 1939, Reed & Tartar J Am Chem Soc I 57 571 1935, Beilstein 4 III 27, 4 IV 64.]
[References]

[1] Patent: WO2018/39386, 2018, A1. Location in patent: Page/Page column 366
Spectrum DetailBack Directory
[Spectrum Detail]

1-DODECANESULFONIC ACID SODIUM SALT(2386-53-0)1HNMR
1-DODECANESULFONIC ACID SODIUM SALT(2386-53-0)IR1
1-DODECANESULFONIC ACID SODIUM SALT(2386-53-0)IR2
1-DODECANESULFONIC ACID SODIUM SALT(2386-53-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Dodecanesulfonic acid, sodium salt, anhydrous, Ion pair chromatography, 99+%(2386-53-0)
[Alfa Aesar]

Sodium 1-dodecanesulfonate, 99%(2386-53-0)
[Sigma Aldrich]

2386-53-0(sigmaaldrich)
[TCI AMERICA]

Sodium 1-Dodecanesulfonate,>98.0%(T)(2386-53-0)
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