나트륨o-도데실벤젠술폰산염

Sodium Dodecylbenzenesulfonate

HCID 23662403

기본 정보

CAS
15163-46-9
표준 SMILES
CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].[Na+]
InChIKey
HFQQZARZPUDIFP-UHFFFAOYSA-M
분자식
C18H29NaO3S
평균 분자량
348.5 g/mol
단동위원소 질량
348.17351024

이름 및 식별자

우선 이름
Sodium Dodecylbenzenesulfonate
IUPAC
sodium 2-dodecylbenzenesulfonate
현지명
나트륨o-도데실벤젠술폰산염
영어명
sodium o-dodecylbenzenesulphonate
분자식
C18H31NaO3S
분자량
350.49

이름 및 동의어

Sodium dodecylbenzenesulphonateAbeson namDodecyl benzenesulfonic acid, sodium saltSantomerse 3Sulframin 85SDBSSulfapoluSulfurilSulfaril pasteUltrawet KXUltrawet SKBenzenesulfonic acid, dodecyl-, sodium salt
이름 더 보기
나트륨o-도데실벤젠술폰산염sodium o-dodecylbenzenesulphonate2-Dodecylbenzenesulfonic acid sodium saltBenzenesulfonic acid,2-dodecyl-, sodium salt (1:1)
Sodium laurylbenzenesulfonateRichonate 45BSulframin 40RAUltrawet 60KDetergent HD-90Santomerse No. 1Stepantan DS 40Trepolate F 40

데이터베이스 식별자

CAS
15163-46-9、25155-30-0
PubChem CID
23662403
DTXSID
DTXSID0041642
UNII
2855754K9T
EC Number
239-219-3、246-680-4、910-308-5
Nikkaji
J169.466I

물성

구조 계산 물성

극성 표면적
65.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
12
무거운 원자 수
23

실험 및 물리화학적 성질

LogPlog Kow = 0.45
Density · 2건

1 at 68 °F for 60% slurry (USCG, 1999)

1.0 @ 20 °C for 60% slurry

Color/FormWhite to light yellow flakes, granules, or powder
Solubility · 2건

5 to 10 mg/mL at 66 °F (NTP, 1992)

Water solubility = 8X10+5 ug/l at 20-25 °C

Flash Pointgreater than 200 °F (NTP, 1992)
Boiling PointFoams as water boils. 212 °F (USCG, 1999)

물리화학적 성질

저장 조건
Sealed in dry,Room Temperature
EPA
2 · Benzenesulfonic acid, 2-dodecyl-, sodium salt (15163-46-9)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3.5% (75 of 2156) of reports.

Danger

H302 (94.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (31.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (63.1%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (58.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (37.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (19.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (12.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2156 reports by companies from 49 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 75 of 2156 reports by companies.;There are 48 notifications provided by 2081 of 2156 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 6건

Chemical: Benzenesulfonic acid, dodecyl-, sodium salt (1:1)

Benzenesulfonic acid, dodecyl-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, dodecyl-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Sodium Dodecylbenzene Sulfonate is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Status: Active Update: 21-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11639

Sodium lauryl benzene sulphonate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Linear alkylbenzenesulfonates (C10-C16): Human health tier II assessment;Evaluation - Linear alkylbenzene sulfonates
Health HazardsMinor skin and eye irritant. INGESTION: May cause vomiting, diarrhea, and intestinal distension. (USCG, 1999)
Hazards Summary · 1건

The dodecyl branch may be many different isomers with the benzene attached in multiple positions; [Hawley] May be irritating to skin; [Merck Index] A skin, eye, and respiratory tract irritant; [ICSC] A skin irritant; Corrosive to eyes; [eChemPortal: ERMA] 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] An irritant; [MSDSonline]

Reactive GroupSalts, Basic
Special Reports · 5건

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/.

For more Special Reports (Complete) data for SODIUM DODECYLBENZENESULFONATE (8 total), please visit the HSDB record page.

안전 및 보호

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Fire Fighting Procedures · 2건

Extinguish fire with water.

If material on fire or involved in fire: Extingiush fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.)

Storage ConditionsStorage temp above 32 °F.
Cleanup Methods · 2건

Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting water.

Water spill: If dissolved, apply activated carbon at ten times the spilled amount in region of 10 ppm or greater concentration. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.

Disposal Methods · 1건

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.

Preventive Measures · 2건

If material not involved in fire: Keep material out of water sources and sewers. Build dikes to contain flow as necessary.

Personnel protection: Avoid breathing vapors, or dusts. Keep upwind. Wash away any material which may have contacted the body with copious amounts of soap and water.

독성 정보

Environmental Fate · 5건

TERRESTRIAL FATE: Based on a recommended classification scheme(2), sodium dodecylbenzenesulfonate should have high mobility(SRC) in soil based on an estimated Koc value of 110.5(1,SRC). Biodegradation of sodium dodecylbenzenesulfonic acid is expected to be an important fate process for aerobic conditions based on a variety of biodegradation studies(5-20). Volatilization of sodium dodecylbenzenesulfonic acid is not expected from moist or dry soils based on an estimated vapor pressure of approximately 2.29X10-15 mm Hg at 25 °C(3) and an estimated Henry's Law constant of 6.27X10-8 atm-cu m/mole(4).

AQUATIC FATE: Sodium dodecylbenzenesulfonate is expected to be essentially non-volatile from water(2) based upon an estimated Henry's Law constant of 6.27x10-8 atm cu m/mol(1,SRC). Biodegradation of sodium dodecylbenzenesulfonate is expected to be an important fate process for aerobic conditions based on a variety of biodegradation studies(3-18). Aquatic bioconcentration, adsorption to sediment, and hydrolysis are not expected to be important fate processes in aquatic environments(SRC).

ATMOSPHERIC FATE: Based on an estimated vapor pressure of approximately 2.29x10-15 mm Hg at 25 °C(1), sodium dodecylbenzenesulfonate will exist in the atmosphere in the particulate phase(2). Removal of sodium dodecylbenzenesulfonate from the atmosphere can occur through wet deposition(SRC).

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/

Toxicity Summary · 2건

Salts of alkylbenzene sulfonates, including ammonium dodecylbenzenesulfonate, calcium dodecylbenzenesulfonate, DEA-dodecylbenzenesulfonate, isopropylamine dodecylbenzenesulfonate, magnesium isodecylbenzenesulfonate, MIPA-dodecylbenzenesulfonate, potassium dodecylbenzenesulfonate, sodium decylbenzenesulfonate, SDDBS, sodium tridecylbenzenesulfonate, TEA-DDBS, and TEA-tridecylbenzenesulfonate, are safe as cosmetic ingredients in the practices of use given in this safety assessment when formulated to be nonirritating.

Safe for use in cosmetics, with qualifications

Effluent Concentrations · 1건

Concentrations of linear alkylbenzenesulfonates in sewage samples from a mechanical-biological sewage treatment plant in Rome ranged from 257-2305 ug/l and 0.8-9.8 ug/l for raw and treated sewage, respectively, depending on the number of carbons on the alkyl chain (C9-C13)(1). The concentration of linear alkylbenzenesulfonates in Swedish municipal waste waters were 6.2 mg/l in raw sewage, from 0.06 to 4.0 mg/l in primary effluents, and from 0.07 to 0.10 mg/l in secondary effluents(2). The concentrations of linear alkylbenzenesulfonates (C10-C14) for three sewage treatment plants in Spain were between 8.4 and 14.0 mg/g (average 12.6) and 12.1 to 18.8 mg/g (average 15.8) for nondigested and digested sludges, respectively(3). /Linear alkylbenzenesulfonates/

Medical SurveillancePre-employment medical exam should be carried out to ensure that persons employed are free from diseases of the respiratory organs and from skin allergies ... . /Detergents/
Soil Adsorption/Mobility · 1건

Dodecylbenzenesulfonic acid sodium salt will dissociate to the anionic form (based on a pKa of 2.554 for dodecylbenzenesulfonic acid(5)) in the environment and the anionic form is expected to be even more mobile than indicated by the estimated Koc's for the undissociated sulfonic acid(SRC). Using a structure estimation method based on molecular connectivity indices(1), the Koc for dodecylbenzenesulfonic acid can be estimated to be about 1.71X10+4(SRC). However, the Koc for sodium dodecylbenzenesulfonate can be estimated to be about 110.5(SRC) based on an experimental water solubility of 800 mg/l(3) and a regression derived equation(2). Based on an experimental log Kow value of 1.96(6), the Koc for sodium dodecylbenzenesulfonate can also be estimated to be 278(SRC) using a regression derived equation(2). According to a suggested classification scheme(4), these estimated Koc values suggest that dodecylbenzenesulfonate has high soil mobility.

Human Toxicity Excerpts · 3건

MAY CAUSE SKIN IRRITATION. IF SWALLOWED WILL CAUSE VOMITING.

... /ALKYL BENZENE SULFONATE/ DETERGENT USED INDUSTRIALLY HAS BEEN HELD RESPONSIBLE FOR DELICATE PUNCTATE SPECKLING OF CORNEAL EPITHELIUM IN PALPEBRAL FISSURE IN 92 WORKERS ... EXPOSED TO THE POWDER IN RUMANIA. ... DISTURBANCE WAS STILL PRESENT A YR LATER. /ALKYL BENZENE SULFONATE/

PROLONGED SKIN CONTACT WITH SOLN MAY CAUSE IRRITATION, BUT SENSITIZATION OR ALLERGIC REACTIONS ARE RARE. /ALKYL ARYL SODIUM SULFONATES/

규제 정보

Regulatory Information · 6건

Chemical: Benzenesulfonic acid, dodecyl-, sodium salt (1:1)

Benzenesulfonic acid, dodecyl-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, dodecyl-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Sodium Dodecylbenzene Sulfonate is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Status: Active Update: 21-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11639

Sodium lauryl benzene sulphonate: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

CERCLA Reportable Quantities · 1건

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1,000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act RequirementsDesignated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance.

안전 데이터

tsca
TSCA listed

화학 및 산업

약리 정보

Mechanism of Action · 1건

/A study was conducted/ to investigate the action mechanism of sulfonate anionic surfactant against plant viral infection, inhibitory action of sodium and calcium salts of branched dodecylbenzenesulfonic acid to tobacco mosaic virus (TMV) ordinary strain ... using the French bean local lesion assay method. The results suggest that the inhibitory action of dodecylbenzenesulfonic acid to TMV infection is not due to disintegration or inactivation of TMV but due to the depression of viral replication resulting from the disturbance in metabolism of the host cell and the function of the membrane at an early stage of TMV infection in that cell.

MeSH Pharmacological Classification · 2건

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.

Absorption, Distribution and Excretion · 5건

LABELED SODIUM ALKYLBENZENESULFONATE AT CONCN CLOSE TO THOSE FOUND IN POLLUTED WATER WERE READILY ABSORBED BY CARPS. ROUTE OF ABSORPTION WAS GILL OR SKIN. THE BIOCONCENTRATION COEFFICIENTS CORRELATED WITH MOLECULAR STRUCTURES OF THE SURFACTANTS TESTED.

THE UPTAKE, TISSUE DISTRIBUTION, & ELIMINATION OF SODIUM LAURYLBENZENESULFONATE WERE INVESTIGATED IN CARP (CYPRINUS CARPIO). CONCN FACTORS FOR HEPATOPANCREAS & GALLBLADDER 30 & 9000 RESPECTIVELY. MAX WHOLE-BODY LEVELS WERE REACHED @ 24-72 HR. UPTAKE INCR WITH INCREASING WATER HARDNESS; SURVIVAL TIME DECR WITH INCR WATER HARDNESS.

UPTAKE IN TEST ORGANISMS (DAPHNIDS AND FATHEAD MINNOWS) , AS MEASURED BY (14)CARBON ACTIVITY, WAS FUNCTION OF CHAIN LENGTH & EXPOSURE CONCN. APPROX 100% CLEARANCE WITHIN 10 DAYS.

IN RATS, BLOOD LEVELS OF SODIUM-PARA-DODECYLBENZENESULFONATE WAS MAX @ 2 HR, NEGLIGIBLE @ 48 HR, WHILE EXCRETION RATE OF RADIOACTIVE LABEL WAS 99.4% AFTER 48 HR. /SODIUM PARA-DODECYLBENZENESULFONATE/

For more Absorption, Distribution and Excretion (Complete) data for SODIUM DODECYLBENZENESULFONATE (7 total), please visit the HSDB record page.

용도 및 제조

Uses · 6건

CIR ingredient: Sodium Dodecylbenzenesulfonate

Used as anionic detergent; [Merck Index] Used in the textile processing industry and in pesticides; [IUCLID]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry];Farming (Pesticides) [Category: Industry]

Anionic detergent

USED IN INDUSTRIAL, INSTITUTIONAL AND CHEMICAL DETERGENTS AND CLEANERS SUCH AS HEAVY DUTY LAUNDRY PRODUCTS; CAR, TRUCK, AND BUS CLEANERS; METAL CLEANING PRODUCTS; SPECIALTY CLEANERS AND SANITATION PRODUCTS; EMULSIFIERS, SUSPENSION OR WETTNG AGENTS, ABSORBANTS IN PESTICIDE AND OTHER AGRICULTURAL CHEMICALS; FOAMING AND WETTING AGENT IN PULP AND PAPER PRODUCTS; LATEX, TEXTILE, RUBBER AND POLYMER PROCESSING

Dodocylbenzenesulfonate used in the foam separation of iron (III) hydroxide flox, is recovered from the collapsed foam by treatment with sodium hydroxide, sodium carbonate surfactant recovery; sodium sulfate is less effective. /Dodecylbenzenesulfonate/

ImpuritiesSodium sulfate, dodecylbenzene, sulfones, sodium carbonate, sodium chloride, water, free oil.
U.S. Exports · 2건

(1984) 3.05X10+9 g /ALKYL BENZENE SULFONIC ACID AND SALTS/

(1974) Negligible

U.S. Imports · 2건

(1984) 4.54X10+9 g /ANIONIC SURFACE ACTIVE AGENTS/

(1974) Negligible

U.S. Production · 6건

2023: 25,000,000 - <40,000,000 lb;2022: 25,000,000 - <40,000,000 lb;2021: 10,000,000 - <25,000,000 lb;2020: 10,000,000 - <25,000,000 lb

(1972) 1.65X10+11 G

(1975) 1.51X10+11 G

(1984) 9.32X10+10 g

(1974) 364.1 Million lbs/year

2.34X10+8 kg (1992)

Consumption Patterns · 1건

HEAVY DUTY POWDER DETERGENTS, 50%; HEAVY DUTY LIQUID DETERGENTS, 12%; LIGHT DUTY LIQUID DETERGENTS, 15%; MISCELLANEOUS HOUSEHOLD CLEANER, 5%; INDUSTRIAL, INSTITUTIONAL, COMMERICAL CLEANERS, 13%; INDUSTRIAL PROCESSES AND AGRICULTURAL, 5% (1981)

공급사5 곳

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

관련 반응

3건

화합물 노트

불러오는 중…