十二烷基硫酸三乙醇胺

十二烷基硫酸三乙醇胺 基本信息
CAS号 139-96-8 分子式 C18H41NO7S
分子量 415.58600 精确质量  415.26000
PSA  135.91000 LogP  3.07280

基本信息 展开↓

CAS号:
139-96-8
3D弹球模型:
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分子式:
C18H41NO7S
分子量:
415.58600
中文名称:
十二烷基硫酸三乙醇胺
英文名称:
2-[bis(2-hydroxyethyl)amino]ethanol,dodecyl hydrogen sulfate
中文别名:
十二烷基硫酸三乙醇胺;
十二烷硫酸单酯、三乙醇胺(1:1)的化合物;
月桂醇硫酸酯TEA盐
英文别名:
2-[bis(2-hydroxyethyl)amino]ethanol,dodecyl hydrogen sulfate;
tris-(2-hydroxy-ethyl)-amine,dodecyl sulfate;
Richonol T;
Akyposal TLS;
Tris-(2-hydroxy-aethyl)-amin,Dodecylsulfat;
Drene;
Cycloryl WAT;
triethanolamine salt of lauryl sulfate;
Standapol T;
tris(2-hydroxyethyl)ammonium decyl sulfate;
Stepanol WAT;
Sterling wat;
triethanolammonium lauryl sulfate;
Propaste T;
triethanolamine laureth sulfate;
Maprofix TLS;
lauryl sulfate triethanol amine;
Sulfetal lt
精确分子量/精确质量:
415.26000
极性分子表面积/PSA:
135.91000
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:
MFCD00068464
EINECS:
205-388-7
InChI:
The Key: JZKFHQMONDVVNF-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


由十三烷醇与硫酸进行酯化反应,再用三乙醇胺进行中和而得。

合成制备方法


由十三烷醇与硫酸进行酯化反应,再用三乙醇胺进行中和而得。

用途简介


可用作香波中的起泡剂和清洁剂,表面活性剂。 本品在医药、化妆品和各种工业洗涤剂中作润湿剂、发泡剂、分散剂。

用途


可用作香波中的起泡剂和清洁剂,表面活性剂。

本品在医药、化妆品和各种工业洗涤剂中作润湿剂、发泡剂、分散剂。

物化性质展开↓

外观与性状:
透明液体
熔点:
133-137 °C(lit.)
沸点:
100ºC
闪点:
93ºC
蒸汽压:
5.17E-16mmHg at 25°C
其它信息:

1.          性状:淡黄色液体

2.          密度(g/mL ,25/4℃):1.05

安全信息展开↓

海关代码:
3402190000
WGK_Germany:
3
德国有关水污染物质的分类清单

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WT1000000
CAS REGISTRY NUMBER :
139-96-8
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H26-O4-S.C6-H15-N-O3
MOLECULAR WEIGHT :
415.66
WISWESSER LINE NOTATION :
WSQO12 &Q2N2Q2Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,305,1978
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,276,1971
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,305,1978 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83364 No. of Facilities: 4565 (estimated) No. of Industries: 23 No. of Occupations: 46 No. of Employees: 58946 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83364 No. of Facilities: 3002 (estimated) No. of Industries: 16 No. of Occupations: 18 No. of Employees: 80826 (estimated) No. of Female Employees: 53438 (estimated)
毒理学数据:

皮肤/眼睛刺激数据

兔子皮肤接触:10mg/34H

兔子眼睛接触:2mg

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Triethanolamine Lauryl Sulfate
    Common Name/
    Trade Name
    Triethanolamine Lauryl Sulfate

Section 3. Hazards Identification
    Potential Acute Health Effects Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation.
    Potential Chronic Health        CARCINOGENIC EFFECTS: Not available.    
    Effects        MUTAGENIC EFFECTS: Not available.    
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure is not known to aggravate medical condition.

Section 4. 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. Cold water may be used. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove    
    contaminated clothing and shoes. Cold water may be used.Wash clothing before reuse. Thoroughly clean shoes
    before reuse. Get medical attention.
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion
    Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        CLOSED CUP: Higher than 93.3°C (200°F).    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).    
    Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        Not available.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards
    Triethanolamine Lauryl Sulfate

Section 6. Accidental Release Measures
    Small Spill        Dilute with water and mop up, or absorb with an inert dry material and place in an appropriate waste disposal    
    container. Finish cleaning by spreading water on the contaminated surface and dispose of according to local and
    regional authority requirements.
    Large Spill        Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning by    
    spreading water on the contaminated surface and allow to evacuate through the sanitary system.

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the    
    residue under a fume hood. Ground all equipment containing material. Do not breathe gas/fumes/ vapor/spray.
    Keep away from incompatibles such as oxidizing agents.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area.    

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the
    work-station location.
    Personal Protection        Safety glasses. Synthetic apron. Gloves (impervious).    
    Personal Protection in Case of Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    a Large Spill        specialist BEFORE handling this product.    
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Liquid.        Odor        Not available.    
    Not available.
    Taste
    Molecular Weight        415.59 g/mole    
    Colorless to light yellow.
    Color
    7 [Neutral.]
    pH (1% soln/water)
    Boiling Point        Not available.    
    Melting Point        Not available.    
    Critical Temperature        Not available.    
    Specific Gravity        1.04 (Water = 1)    
    Not available.
    Vapor Pressure
    Vapor Density        Not available.    
    Not available.
    Volatility
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        See solubility in water.    
    Solubility        Soluble in cold water.    
    Triethanolamine Lauryl Sulfate

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Excess heat, incompatible materials.
    Conditions of Instability
    Reactive with oxidizing agents.
    Incompatibility with various
    substances
    Corrosivity        Not available.    
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Absorbed through skin. Eye contact.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: Inhalation of mist or vapor may cause respiratory tract irritation.
    Ingestion: May cause gastrointestinal tract irritation with nausea, vomiting. The toxicological properties of this
    substance have not yet been fully investigated.

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    Not available.
    BOD5 and COD
    Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    Products of Biodegradation
    arise.
    Toxicity of the Products        The product itself and its products of degradation are not toxic.    
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation
    Triethanolamine Lauryl Sulfate

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Triethanolamine Lauryl Sulfate
    Federal and State
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    to cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.    
    205-366-7).
    Canada: Listed on Canadian Domestic Substance List (DSL).
    Canada: Not listed on Canadian Non- Domestic Substance List (NDSL).
    China: Listed on National Inventory.
    Japan: Listed on National Inventory (ENCS).
    Korea: Listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    Other Classifications        WHMIS (Canada) Not controlled under WHMIS (Canada).    
    DSCL (EEC)        R36/38- Irritating to eyes and skin.        S26- In case of contact with eyes, rinse    
    immediately with plenty of water and seek
    medical advice.
    S37- Wear suitable gloves.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    C
    WHMIS (Canada)
    (Pictograms)
    Triethanolamine Lauryl Sulfate
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves (impervious).
    Synthetic apron.
    Not applicable.


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:4

3.氢键受体数量:8

4.可旋转化学键数量:18

5.互变异构体数量:无

6.拓扑分子极性表面积136

7.重原子数量:27

8.表面电荷:0

9.复杂度:300

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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