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    577-11-7 structure, C20H37NaO7S
    Docusate sodium
    CAS No.: 577-11-7 Formula: C20H37NaO7S Molecular Weight: 444.55800
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    Docusate sodium

    CAS No.:

    577-11-7

    Formula:

    C20H37NaO7S

    Molecular Weight: 444.55800
    Suppliers: All (198) China Suppliers (137) Price Available (40) Contractor (12)

    Description

    Docusate, also known as docusate salts or dioctyl sulfosuccinate, is a laxative used to treat constipation. It is considered a good choice in children who have hard feces. For constipation due to the use of opiates it may be used with a stimulant laxative. It can be taken by mouth or rectally. Usually it works in one to three days.
    Side effects are uncommon. Rarely there may be abdominal cramps or diarrhea. Long term use may cause poor bowel function. Docusate is acceptable during pregnancy and breastfeeding. It is a laxative of the stool softener type and works by allowing more water to be absorbed by the feces. It typically comes in the form of a sodium, calcium, or potassium salts.
    It is on the World Health Organization's List of Essential Medicines, the most important medications needed in a basic health system. It is available as a generic medication and is not very expensive. In the United States one hundred doses are about 14 USD. Dioctyl sodium sulfosuccinate is also used as a food additive, emulsifier, dispersant, and wetting agent, among others.

    Basic Info

    Chemical Name

    Docusate sodium

    Synonyms

    coprol; Bis(2-ethylhexyl) sodium sulfosuccinate; doxol; sv102; revac; sodium dioctyl sulfosuccinate; nevax; DSS; AOT; DOSS; colace; sbo; Expand

    CAS No.

    577-11-7

    Molecular Formula

    C20H37NaO7S

    Molecular Weight

    444.55800

    PSA

    118.18000

    LogP

    4.89030

    Numbering system

    UNII F05Q2T2JA0

    Properties

    Appearance & Physical State

    white solid

    Density

    1.1

    Melting Point

    153-157oC

    Flash Point

    199oC

    Water Solubility

    1.5 g/100 mL (25 oC)

    Stability

    Stable. Combustible. Incompatible with strong oxidizing agents.

    Storage Condition

    2-8oC

    Safety Info

    RTECS

    WN0525000

    Safety Statements

    S26-S37/39

    HS Code

    2914509090

    WGK Germany

    2

    Risk Statements

    R22; R36/37/38

    Hazard Codes

    Xn

    Hazard Declaration

    H315; H318

    Symbol

    GHS05

    Signal Word

    Danger

    Caution Statement

    P280; P305 + P351 + P338

    SDS 1.0

    Expand

    SDS 1.0

    Collapse
    Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

    SAFETY DATA SHEETS

    According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

    Version: 1.0

    Creation Date: Aug 12, 2017

    Revision Date: Aug 12, 2017

    1.Identification

    1.1 GHS Product identifier

    Product name Docusate sodium

    1.2 Other means of identification

    Product number -
    Other names sbo

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Finishing agents,Intermediates,Processing aids, not otherwise listed,Surface active agents
    Uses advised against no data available

    1.4 Supplier's details

    Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
    Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
    Xuhui District, Shanghai, China
    Telephone +86(21)64956998
    Fax +86(21)54365166

    1.5 Emergency phone number

    Emergency phone number +86-400-6021-666
    Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

    2.Hazard identification

    2.1 Classification of the substance or mixture

    Not classified.

    2.2 GHS label elements, including precautionary statements

    Pictogram(s) No symbol.
    Signal word

    No signal word.

    Hazard statement(s)

    none

    Precautionary statement(s)
    Prevention

    none

    Response

    none

    Storage

    none

    Disposal

    none

    2.3 Other hazards which do not result in classification

    none

    3.Composition/information on ingredients

    3.1 Substances

    Chemical name Common names and synonyms CAS number EC number Concentration
    Docusate sodium Docusate sodium 577-11-7 none 100%

    4.First-aid measures

    4.1 Description of necessary first-aid measures

    General advice

    Consult a physician. Show this safety data sheet to the doctor in attendance.

    If inhaled

    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

    In case of skin contact

    Wash off with soap and plenty of water. Consult a physician.

    In case of eye contact

    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

    If swallowed

    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

    4.2 Most important symptoms/effects, acute and delayed

    Liquid is strong irritant to eye and may irritate skin by removing natural oils. Ingestion causes diarrhea and intestinal bloating. (USCG, 1999)

    4.3 Indication of immediate medical attention and special treatment needed, if necessary

    Minimum/Potential Fatal Human Dose

    3. 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OZ & 1 PINT FOR 70 KG PERSON (150 LB).

    Absorption, Distribution and Excretion

    ...DRUG IS ABSORBED FROM GI TRACT & IS EXCRETED IN SIGNIFICANT CONCN IN BILE.

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

    5.2 Specific hazards arising from the chemical

    Behavior in Fire: Causes foaming and spreading of water. Assists in putting out fires by water. (USCG, 1999)

    5.3 Special protective actions for fire-fighters

    Wear self-contained breathing apparatus for firefighting if necessary.

    6.Accidental release measures

    6.1 Personal precautions, protective equipment and emergency procedures

    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

    6.2 Environmental precautions

    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

    6.3 Methods and materials for containment and cleaning up

    Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

    7.Handling and storage

    7.1 Precautions for safe handling

    Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

    7.2 Conditions for safe storage, including any incompatibilities

    Capsules of the docusate salts should be stored in tight containers at 15-30 degrees C; docusate sodium solution should be stored in tight containers, and docusate sodium syrup should be stored in tight, light-resistant containers.

    8.Exposure controls/personal protection

    8.1 Control parameters

    Occupational Exposure limit values

    no data available

    Biological limit values

    no data available

    8.2 Appropriate engineering controls

    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

    8.3 Individual protection measures, such as personal protective equipment (PPE)

    Eye/face protection

    Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

    Skin protection

    Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

    Respiratory protection

    Wear dust mask when handling large quantities.

    Thermal hazards

    no data available

    9.Physical and chemical properties

    Physical state white solid
    Colour WHITE, WAX-LIKE SOLID
    Odour CHARACTERISTIC ODOR
    Melting point/ freezing point 58°C(lit.)
    Boiling point or initial boiling point and boiling range 142°C
    Flammability no data available
    Lower and upper explosion limit / flammability limit no data available
    Flash point 29°C(lit.)
    Auto-ignition temperature no data available
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity no data available
    Solubility In water:1.5 g/100 mL (25 oC)
    Partition coefficient n-octanol/water (log value) no data available
    Vapour pressure no data available
    Density and/or relative density 1.1
    Relative vapour density no data available
    Particle characteristics no data available

    10.Stability and reactivity

    10.1 Reactivity

    no data available

    10.2 Chemical stability

    STABLE IN ACID & NEUTRAL SOLN; HYDROLYZES IN ALKALINE SOLN

    10.3 Possibility of hazardous reactions

    DIOCTYL SODIUM SULFOSUCCINATE causes foaming and spreading of water. Assists in putting out fires by water. (USCG, 1999).

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    no data available

    10.6 Hazardous decomposition products

    WHEN HEATED TO DECOMP, EMITS TOXIC FUMES.

    11.Toxicological information

    Acute toxicity

    • Oral: no data available
    • Inhalation: no data available
    • Dermal: no data available

    Skin corrosion/irritation

    no data available

    Serious eye damage/irritation

    no data available

    Respiratory or skin sensitization

    no data available

    Germ cell mutagenicity

    no data available

    Carcinogenicity

    no data available

    Reproductive toxicity

    no data available

    STOT-single exposure

    no data available

    STOT-repeated exposure

    no data available

    Aspiration hazard

    no data available

    12.Ecological information

    12.1 Toxicity

    • Toxicity to fish: no data available
    • Toxicity to daphnia and other aquatic invertebrates: no data available
    • Toxicity to algae: no data available
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    In a river die-away screen test of river water, bis(2-ethylhexyl)sodium sulfosuccinate biodegraded 95% (12 days), 91% (12 days), 91% (17 days), 97.3% (6 days), and 97.7% (3 days), at concentrations of 12.9, 4.5, 3.3, 11.3, and 12.9 ppm, respectively, with a lag period of 6 days(1). This study also conducted a sterile control in which there was 9% loss of bis(2-ethylhexyl)sodium sulfosuccinate(1). A BOD test of aerobic activated sludge biodegraded bis(2-ethylhexyl)sodium sulfosuccinate 80-95% after 8 hours from initial concentrations of 2-13 ppm with a 5-7 week lag(2). This same study tested sewage in the same manner and obtained 60-80% biodegradation of bis(2-ethylhexyl)sodium sulfosuccinate after a 3-9 week lag(2). A study using DOC found that bis(2-ethylhexyl)sodium sulfosuccinate (40 ppm) biodegraded 83% after 20 days in aerobic sewage(3). In an aerobic closed bottle screening study using activated sludge and soil inoculum, 100 mg/l bis(2-ethylhexyl)sodium sulfosuccinate had a 4 week theoretical BOD of 0-9%(4). With 1 mg added to 10 ml sediment, bis(2-ethylhexyl)sodium sulfosuccinate biodegraded 55-94% in river sediments, 8% in sand, and 13% in clay after 3 days(5).

    12.3 Bioaccumulative potential

    Based upon an experimental water solubility of 71,000 mg/l(1), the BCF of bis(2-ethylhexyl)sodium sulfosuccinate can be estimated to be approximately 1.13 from a regression-derived equation(2). The BCF for bis(2-ethylhexyl) sodium sulfosuccinate has also been experimentally determined to be <0.9 at 0.5 mg/l and < 9.3 at 0.05 mg/l for a 6 week duration(1). Based on these BCF values, bioconcentration is not expected to be an important fate process(SRC).

    12.4 Mobility in soil

    Using a structure estimation method based on molecular connectivity indexes, the Koc for bis(2-ethylhexyl) sodium sulfosuccinate can be estimated to be about 1041(1). The Koc for bis(2-ethylhexyl) sodium sulfosuccinate can be estimated to be about 9.37 based on an estimated water solubility of 71000 mg/L(3) and a regression derived equation(2). According to a suggested classification scheme(4), these estimated Koc values suggest that bis(2-ethylhexyl) sodium sulfosuccinate soil mobility is low to very high.

    12.5 Other adverse effects

    no data available

    13.Disposal considerations

    13.1 Disposal methods

    Product

    The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

    Contaminated packaging

    Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

    14.Transport information

    14.1 UN Number

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.2 UN Proper Shipping Name

    ADR/RID: unknown
    IMDG: unknown
    IATA: unknown

    14.3 Transport hazard class(es)

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.4 Packing group, if applicable

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.5 Environmental hazards

    ADR/RID: no IMDG: no IATA: no

    14.6 Special precautions for user

    no data available

    14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

    no data available

    15.Regulatory information

    15.1 Safety, health and environmental regulations specific for the product in question

    Chemical name Common names and synonyms CAS number EC number
    Docusate sodium Docusate sodium 577-11-7 none
    European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
    EC Inventory Listed.
    United States Toxic Substances Control Act (TSCA) Inventory Listed.
    China Catalog of Hazardous chemicals 2015 Not Listed.
    New Zealand Inventory of Chemicals (NZIoC) Listed.
    Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
    Vietnam National Chemical Inventory Listed.
    Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

    16.Other information

    Information on revision

    Creation Date Aug 12, 2017
    Revision Date Aug 12, 2017

    Abbreviations and acronyms

    • CAS: Chemical Abstracts Service
    • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
    • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
    • IMDG: International Maritime Dangerous Goods
    • IATA: International Air Transportation Association
    • TWA: Time Weighted Average
    • STEL: Short term exposure limit
    • LC50: Lethal Concentration 50%
    • LD50: Lethal Dose 50%
    • EC50: Effective Concentration 50%

    References

    • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
    • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
    • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
    • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
    • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
    • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
    • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
    • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
    • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

    Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

    MSDS

    Expand
    1H NMR : 400 MHz in CDCl3Expand

    NMR Spectrum 1H NMR : 400 MHz in CDCl3

    Collapse

    C20 H37 Na O7 S 0.051 g : 0.5 ml CDCl3
    sodium 1,4-bis(2-ethylhexyl) sulfosuccinate

    577-11-7 NMR spectrum

    Assign. Shift(ppm)
    A 4.293
    B *1 4.08
    C *1 3.95
    D *2 3.17
    E *2 3.12
    F 1.57
    G 1.41 to 1.29
    J 1.31 to 1.23
    K *3 0.89
    L *3 0.88
    M *4 0.87
    N *4 0.86

    J(A,D)=9.9 HZ.
    J(A,E)=5.0 HZ.
    J(D,E)=17.5 HZ.

    IR : KBr discExpand
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