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Natrium-p-decylbenzolsulfonat

Sodium p-decylbenzenesulfonate

HCID 23671430
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Grundinformationen

CAS
2627-06-7
Standard-SMILES
CCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1.[Na+]
InChIKey
RLJSXMVTLMHXJS-UHFFFAOYSA-M
Summenformel
C16H25NaO3S
Durchschnittliche Molmasse
320,4 g/mol
Monoisotopische Masse
320,14221011

Namen und Bezeichner

Bevorzugter Name
Sodium p-decylbenzenesulfonate
IUPAC
sodium 4-decylbenzenesulfonate
Lokaler Name
Natrium-p-decylbenzolsulfonat
Englischer Name
sodium p-decylbenzenesulphonate
Summenformel
C16H27NaO3S
Molmasse
322.44

Namen und Synonyme

Sodium 4-decylbenzenesulfonate2627-06-7Sodium p-decylbenzenesulfonateY4S9YCM177UNII-Y4S9YCM177Benzenesulfonic acid, 4-decyl-, sodium saltDTXSID5041647HSDB 5889EINECS 220-093-34-Decylbenzenesulfonic acid, sodium saltBenzenesulfonic acid, p-decyl-, sodium saltp-(n-Decyl)benzenesulfonic acid, sodium salt
Weitere Namen anzeigen
SODIUMP-DECYLBENZENESULFONATEsodium p-decylbenzenesulphonateSodium p-n-decylbenzenesulfonateSODIUMPARA-DECYLBENZENESULPHONATE4-n-Decylbenzenesulfonic acid sodium4-Decylbenzenesulfonic acid sodium saltSodium p-n-decylbenzenesulfonate in methanolBenzenesulfonic acid,4-decyl-, sodium salt (1:1)
P-DECYLBENZENESULFONIC ACID SODIUM SALTRefChem:184045Sodium 4decylbenzenesulfonateDTXCID5010791684Decylbenzenesulfonic acid, sodium saltBenzenesulfonic acid, 4decyl, sodium saltBenzenesulfonic acid, pdecyl, sodium saltp(nDecyl)benzenesulfonic acid, sodium salt

Datenbank-Bezeichner

CAS
2627-06-7
PubChem CID
23671430
DTXSID
DTXSID5041647
UNII
Y4S9YCM177
EC Number
220-093-3
Nikkaji
J169.446D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
65,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
10
Schwere Atome
21
Formalladung
0
Komplexität
330

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Emulsifiers/Surfactants
Color/FormWhite solids.
Physical DescriptionWhite solid; [HSDB]
Other Experimental PropertiesModerately soluble in water and organic solvents. However, above a certain concentration (.0012 M for Na-C12 linear alkylbenzene sulfonic acids) the molecules form micelles. /Linear alkylbenzene sulfonic acids/

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300°C
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
Löslichkeit
Acetic Acid (Slightly), DMSO (Slightly)
Aggregatzustand
Solid
Farbe
White to Off-White
Stabilität
Hygroscopic
EPA chemische Informationen
4 · Benzenesulfonic acid, 4-decyl-, sodium salt (2627-06-7)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Hazards Summary · 1 Eintrag

Linear alkylbenzene sulfonate (LAS): compounds with a sulfonated aromatic ring and a linear alkyl chain usually containing 10 to 14 carbon atoms; Commercial product is mixture of more than twenty of these homologues and isomers; Causes moderate skin and eye irritation (increases with concentration); Moderately toxic by inhalation; Effects in high-dose animal studies include increase in relative liver weight and effect on kidney tubular epithelium; [eChemPortal: SIDSUNEP]

Special Reports · 5 Einträge

Lewis MA, Suprenant D; Comparative Acute Toxicities of Surfactants to Aquatic Invertebrates. Ecotoxicol Environ Saf 7 (3): 313-322 (1983)

Stora G; Comparative Evolution of the Sensitivity of Two Polychaetes to the Effects of Detergents as a Function of Temperature Increase, and Information on the Sensitivity Index. Rev Int Oceanog Med 51-52: 101-13 (1978)

Shibuya S; Japan Tokkyo Koho JP 53/137557 Purification of Oil-Emulsified Waste Water Using Sulfonic Surfactants (1978)

Arendt G et al; Forschungsber-Bundesminist Forsch Technol Technol Forsch Entwickl BMFT-FB-T 83-281 136 pp. (1983) A method is described which permits identification of groups of substances approximately 370 compounds present in the technosphere /including dodecylbenzenesulfonic acid/.

Freitag D et al; Chemosphere 14 (10): 1589-1616 (1985) Environmental hazard profile of organic chemicals using an experimental method for the assessment of the behavior of organic chemicals in the exosphere by means of simple laboratory tests with (14)C-labeled chemicals. Dodecylbenzenesulfonic acid is one of numerous compounds considered.

Sicherheit und Schutzausrüstung

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Toxikologische Informationen

Interactions · 2 Einträge

Linear alkylbenzene sulfonic acids rendered linolenic acid (a mutagen) penetrable in bacterial cells Salmonella typhimurium (Ames/Salmonella Assay). /Linear alkylbenzene sulfonic acids/

Synergism reported in the toxic action of parathion (800 ug/l) with the addition of 85% pure C12 linear alkylbenzene sulfonic acids 1,000 ug/l in Fathead minnow. /C12 linear alkylbenzene sulfonic acids/

Ecotoxicity Values · 4 Einträge

LC50 Daphnia magna 29.55 ppm 48 hr

LC50 Clam (Mya arenaria) 70 mg/l 96 hr. /Linear alkylbenzene sulfonic acids/

LC50 Hermit crab (Eupagurus bernhardus) >100 mg/l 96 hr. /Linear alkylbenzene sulfonic acids/

LC50 Pimephales promelas 43.0 mg/l 48 hr

Environmental Fate · 3 Einträge

Aquatic: Under typical sewage plant conditions, biodegradation for linear alkylbenzene sulfonic acid products ranges from the mid 80% to upper 90% level. /Linear alkylbenzene sulfonic acids/

Aquatic: Water temperature affects biodegration. The rate of sodium-C12 linear alkylbenzene sulfonic acids biodegradation in Chesapeake Bay water was max at 25-30 °C and decreased at lower incubation temperatures. /Sodium-C12 linear alkylbenzene sulfonic acids/

Terrestrial: The adsorption of sodium-C12 linear alkylbenzene sulfonic acids is affected by the type of soil. The affinity of the soil for surfactants competes with microbial attack, slowing biodegradation. /Sodium-C12 linear alkylbenzene sulfonic acids/

Human Toxicity Excerpts · 1 Eintrag

Workers engaged in the packing of a washing powder were exposed to atmospheric levels of sodium-C12 linear alkylbenzene sulfonic acids at 8.64 mg/cu m. Neither carbohydrate nor lipid metabolism was significantly affected, except for reductions in total lipid content and cholesterol level of plasma./Sodium-C12 linear alkylbenzene sulfonic acids/

Non-Human Toxicity Excerpts · 5 Einträge

0.1 ml of 20% linear alkylbenzene sulfonic acids applied twice a day from day 0 to 3 of pregnancy, to a 2 x 3 cm area of the backs of mice, interrupted cleavage of eggs and caused retarded fetal development. Linear alkylbenzene sulfonic acids interrupts pregnancy by a direct effect on embryos. /Linear alkylbenzene sulfonic acids/

0.5 ml detergent solution containing 3% linear alkylbenzene sulfonic acids applied percutaneously to mice during pregnancy on days 2-13 caused postimplantation embryo loss due to maternal toxicity. /Linear alkylbenzene sulfonic acids/

General reproduction parameters from a three-generation study in rats following an 84-day administration of 0.5% C12 linear alkylbenzene sulfonate in the diet were similar in control and treated groups. /C12 linear alkylbenzene sulfonate/

No adverse effects in a two-generation study in rats administered 0.1% linear alkylbenzene sulfonic acids in their drinking water for 26 wks. /Linear alkylbenzene sulfonic acids/

For more Non-Human Toxicity Excerpts (Complete) data for SODIUM P-DECYLBENZENESULFONATE (8 total), please visit the HSDB record page.

Environmental Water Concentrations · 1 Eintrag

The mean levels of linear alkylbenzene sulfonic acids (as methylene blue active substance) in surface waters in the US are generally below 0.5 mg/l, the max acceptable level for "drinking" water. The yearly fluctuation in mean methylene blue active substance levels is rather large and shows no trend. /Linear alkylbenzene sulfonic acids/

Non-Human Toxicity Values · 2 Einträge

LD50 Mouse oral 2.1 g/kg 72 hr.

LD50 Mouse iv 115 mg/kg 24 hr.

Sicherheitsdaten

tsca
TSCA listed
Giftige Stoffe Daten
2627-06-7(Hazardous Substances Data)

Chemie und Industrie

Pharmakologische Informationen

Absorption, Distribution and Excretion · 3 Einträge

Linear alkylbenzene sulfonates are absorbed through the gills and body surface of fish (eg, carp), distributed via blood to the various tissues and organs, transported to the hepatopancreas (liver for goldfish and others), and via bile, eliminated with the feces. /Linear alkylbenzene sulfonic acids/

In the whole body, hepatopancreas and gall bladder of fish, (35)S C12 linear alkylbenzene sulfonic acids concentration reached an equilibrium with the ambient water in 48 hr. /C12 linear alkylbenzene sulfonic acids/

Uptake of 0.2-0.6 mg/ml sodium-linear alkylbenzene sulfonic acids by skin surface increased with concentration and length of exposure. /Sodium-linear alkylbenzene sulfonic acids/

Verwendung und Herstellung

Uses · 3 Einträge

Used as anionic surfactant in synthetic detergents; [HSDB]

Anionic surfactants used in many synthetic detergents.

SURFACTANT IN HOUSEHOLD CLEANERS-ESP FOR LAUNDRY-AS MIXT; SURFACTANT IN INDUST CLEANERS-EG, FOR VEHICLES (AS MIXT); SURFACTANT IN INDUST PROCESSES-EG, PULP & PAPER (AS MIXT)

U.S. Production · 3 Einträge

For linear alkylbenzene sulfonic acid compounds: 650 million pounds. /Linear alkylbenzene sulfonic acids/

(1977) AT LEAST 4.54X10+8 G

(1981) MORE THAN 4.54X10+6 G (ISOMERIC MIXT)

Consumption PatternsFor linear alkylbenzene sulfonic acid cmpd: household detergents - 88.5%, industrial detergents - 11.5%. /Linear alkylbenzene sulfonic acids/
Methods of Manufacturing · 2 Einträge

Sulfonation of alkylbenzene with sulfur trioxide may be accomplished in 30 min by pressing the vaporized sulfate mixed with dry air into the alkylate, and stirring and cooling the mixture. A 90% concn of the linear alkylbenzene sulfonic acids is obtained, the remaining 10% being mainly sodium sulfate. A 98% linear alkylbenzene sulfonic acids product can be obtained from any 90% linear alkylbenzene sulfonic acids products by extraction with an alcohol solution

REACTION OF P-DECYLBENZENE WITH OLEUM (OR SULFUR TRIOXIDE & AIR) FOLLOWED BY REACTION WITH SODIUM HYDROXIDE--COMMERCIAL FEEDSTOCK IS A MIXT OF DECYL- AND/OR OTHER LINEAR ALKYLBENZENES, WHICH PRODUCE SODIUM DECYLBENZENESULFONATE & SODIUM LINEAR ALKYLBENZENESULFONATE MIXTURES

Formulations/PreparationsLinear alkylbenzene sulfonic acid cmpd are usually marketed as blends with a diluent (sodium sulfate) or additives (eg, condensed polyphosphates, tetrasodium pyrophosphate). Percentage active ingredient varies from 15% to 98%.
General Manufacturing InformationBenzenesulfonic acid, 4-decyl-, sodium salt (1:1): ACTIVE

Anwendungen

VerwendenSodium 4-decylbenzenesulfonate acts primarily as an alkylbenzene sulfonate surfactant, allowing for application towards mechanical washing units.

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