十一烷基磺酸钠

十一烷基磺酸钠 基本信息
CAS号 5838-34-6 分子式 C11H23NaO3S
分子量 258.35300 精确质量  258.12700
PSA  65.58000 LogP  4.14320

基本信息 展开↓

CAS号:
5838-34-6
3D弹球模型:
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分子式:
C11H23NaO3S
分子量:
258.35300
中文名称:
十一烷基磺酸钠
英文名称:
SODIUM 1-UNDECANESULFONATE
中文别名:
十一烷基磺酸钠;
1-十一烷磺酸钠;
正十一烷基磺酸钠;
Dimethyl (trifluoromethyl)propanedioate;
Propanedioic acid, (trifluoromethyl)-, dimethyl ester (9CI);
Dimethyl(trifluoromethyl)malonate;
BRN 0176944;
2-methoxydibenzo[b,d]furan-3-amine;
Tritylamine;
1,1,1-triphenylmethanamine;
triphenylmethanaminium;
NSC 1154;
Triphenylmethylamine;
2-Amino-5-bromobenzoic acid;
L-(+)ASPARAGINE HYDRATE;
L-ASPARAGINE HYDRATE;
L-ASPARAGIN MONOHYDRATE;
L-ASPARAGINE H2O;
L-ASPARTIC ACID 4-AMIDE MONOHYDRATE;
l-2-aminosuccinamic acid hydrate;
L-2-AMINOBUTANEDIOIC ACID MONOHYDRATE;
(S)-(+)-ASPARAGINE MONOHYDRATE;
(S)-2-AMINOSUCCINIC ACID 4-AMIDE MONOHYDRATE;
l-asparginemonohydrate;
(S)-(+)-2-Aminosuccinamic acid monohydrate;
L-ASPARAGINE MONO;
N-(2-chloro-4-{[(1E)-(4-chlorophenyl)methylidene]amino}phenyl)-4-{[(1E)-(4-chlorophenyl)methylidene]amino}benzamide;
L(+)-Asparagine monohydrate;
2,9-dimethylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone;
N,N'-dimethyl-3,4,9,10-perylenedicarboximide;
N,N'-Dimethyl-3,4,9,10-perylene dicarboximide;
Pigment Red 179
英文别名:
SODIUM 1-UNDECANESULFONATE;
sodium,undecane-1-sulfonate
精确分子量/精确质量:
258.12700
极性分子表面积/PSA:
65.58000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00053627
PubChem:
24889770
BRN:
3751377
InChI:
InChI=1/C11H24O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14;/h2-11H2,1H3,(H,12,13,14);/q;+1/p-1

物化性质展开↓

外观与性状:
固体
密度:
1.547g/cm3
熔点:
>300°C
存储条件/存储方法:

 常温,避光,阴凉干燥处,密封保存  

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):>300

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.     溶解性:未确定

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
36/37/38
安全说明:
S26-S36
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi

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  • 143-07-7

    月桂酸

  • 5838-34-6

    十一烷基磺酸钠

化学图谱

  1. 正十一烷基硫酸钠红外图谱(IR1)

  2. 正十一烷基硫酸钠红外图谱(IR2)

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毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境. .

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name        1-Undecanesulfonic Acid Sodium Salt    
    [Reagent for Ion-Pair Chromatography]
    Portland OR
    Synonym        IPC-ALKS-11    
    Chemical Formula        CH3(CH2)10SO3Na    
    CAS Number        5838-34-6    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    1-Undecanesulfonic Acid Sodium Salt        Min. 98.0(T) Not available.        Not available.    
    5838-34-6
    [Reagent for Ion-Pair Chromatography]

Section III. Hazards Identification
    Acute Health Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering.
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Auto-Ignition        Not available.    
    Flammability        May be combustible at high temperature.    
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2), sulfur oxides (SO2, SO3...), metallic oxides.    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    1-Undecanesulfonic Acid Sodium Salt
    [Reagent for Ion-Pair Chromatography]

Section VI.        Accidental Release Measures    
    Spill Cleanup
    Irritating material. Harmful material. Use a shovel to put the material into a convenient waste disposal container. Finish
    cleaning the spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local
    Instructions
    authorities for assistance on disposal.

Section VII. Handling and Storage
    IRRITANT. HARMFUL. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container
    Handling and Storage
    and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents, acids.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult    
    a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits
    Not available.

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Solid. (Crystals.)        Solubility    
    Not available.
    Not available.
    Specific Gravity
    Molecular Weight        Partition Coefficient    
    258.35        Not available.    
    Boiling Point        Vapor Pressure    
    Not available.        Not applicable.    
    Melting Point        205 to 209°C (401 to 408.2°F)        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Protect from moisture. Avoid excessive heat and light.    
    Incompatibilities
    Reactive with strong oxidizing agents, strong acids.

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Toxicity Data        Not available.    
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the    
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering.
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    1-Undecanesulfonic Acid Sodium Salt
    [Reagent for Ion-Pair Chromatography]

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not available.    
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.    
    R36/37/38- Irritating to eyes, respiratory system and skin.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积65.6

7.重原子数量:16

8.表面电荷:0

9.复杂度:222

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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