壬基酚聚氧乙烯醚

壬基酚聚氧乙烯醚 基本信息
CAS号 26027-38-3 分子式 C28H50O8
分子量 514.69200 精确质量  514.35100
PSA  84.84000 LogP  3.87110

基本信息 展开↓

CAS号:
26027-38-3
分子式:
C28H50O8
分子量:
514.69200
中文名称:
壬基酚聚氧乙烯醚
英文名称:
POLYETHYLENE GLYCOL MONO-4-NONYLPHENYL ETHER
中文别名:
壬基酚聚氧乙烯醚;
聚乙二醇单壬基酚醚;
壬苯醇醚;
聚乙二醇单-4-壬苯醚n≈10
英文别名:
POLYETHYLENE GLYCOL MONO-4-NONYLPHENYL ETHER;
Conceptol;
nonoxynol;
NONOXINOLS;
Tergitol7;
np-9;
Polyethylene Glycol Mono-4-nonylphenyl Ether n≈7.5;
nonoxynol-4;
nonoxynol-6;
tergitol R(NP 10);
Polyethylene Glycol Mono-4-nonylphenyl Ether n≈18;
nonoxynol-2;
n-9;
Polyethylene Glycol Mono-4-nonylphenyl Ether n(=:)20;
Alkylphenol ethoxylates: Nonylphenol-ethylene oxide condensate (Nonoxynol-9);
Novoxynol
精确分子量/精确质量:
514.35100
极性分子表面积/PSA:
84.84000
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:
MFCD00134080
EINECS:
243-816-4

生产制备方法及用途展开↓

制备方法


为非离子型表面活性剂,是目前使用最普遍的一种外用杀精子药。主要作用是通过降低精子脂膜表面张力、改变精子渗透压而杀死精子或导致精子不能游动,从而使精子不能进入宫颈口,无法使卵受精,达到避孕的目的。

用途简介


物化性质展开↓

外观与性状:
透明油性液体
密度:
1.06
熔点:
57-58ºC
沸点:
250ºC
闪点:
94ºC
存储条件/存储方法:

0-6

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4℃):1.00

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

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,20ºC):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

化学图谱

  1. 聚乙二醇单-4-壬苯醚红外图谱(IR1)

  2. 聚乙二醇单-4-壬苯醚红外图谱(IR2)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MD0906000
CHEMICAL NAME :
Glycols, polyethylene, mono(p-nonylphenyl) ether
CAS REGISTRY NUMBER :
26027-38-3
LAST UPDATED :
199710
DATA ITEMS CITED :
15
WISWESSER LINE NOTATION :
/*O2*/ *9R D **Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2860 mg/kg/22D-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intrauterine
DOSE :
2500 ug/kg
SEX/DURATION :
female 1 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intrauterine
DOSE :
5 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravaginal
DOSE :
50 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Maternal Effects - other effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravaginal
DOSE :
50 mg/kg
SEX/DURATION :
female 3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravaginal
DOSE :
1250 ug/kg
SEX/DURATION :
female 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravaginal
DOSE :
1 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - mouse Fibroblast
DOSE/DURATION :
10 ppm
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 3,553,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4862 No. of Facilities: 82021 (estimated) No. of Industries: 303 No. of Occupations: 188 No. of Employees: 842001 (estimated) NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0292 No. of Facilities: 3063 (estimated) No. of Industries: 12 No. of Occupations: 20 No. of Employees: 9425 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8533 No. of Facilities: 30457 (estimated) No. of Industries: 190 No. of Occupations: 159 No. of Employees: 1297228 (estimated) No. of Female Employees: 863213 (estimated)

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Igepal CA-720        Catalog    
    Common Name/
    Number(s).
    Trade Name
    CAS#        26027-38-3    
    Manufacturer
    RTECS        MD0906000    
    SPECTRUM CHEMICAL MFG. CORP.
    TSCA        TSCA 8(b) inventory: Igepal    
    CA-720
    Commercial Name(s)        Not available.    
    CI# Not available.
    Synonym        Not available.    
    IN CASE OF EMERGENCY
    Igepal CA-630
    Chemical Name
    Chemical Family        Not available.        CALL (310) 516-8000    
    C39H72O13
    Chemical Formula
    SPECTRUM CHEMICAL MFG. CORP.

Section 2.Composition and Information on Ingredients
    Exposure Limits
    TWA (mg/m3)        STEL (mg/m3) CEIL (mg/m3)    
    Name        CAS #        % by Weight    
    1) Igepal CA-720        26027-38-3        100    
    Toxicological Data        Igepal CA-720:    
    on Ingredients        ORAL (LD50):        Acute: 510 mg/kg [Rat].    

Section 3. Hazards Identification
    Potential Acute Health Effects Hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation (lung irritant).
    Potential Chronic Health        CARCINOGENIC EFFECTS: Not available.    
    MUTAGENIC EFFECTS: Not available.
    Effects
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure is not known to aggravate medical condition.
    Igepal CA-720

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes,    
    keeping eyelids open. Cold water may be used. Do not use an eye ointment. Seek medical attention.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin    
    with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
    Cold water may be used. Cover the irritated skin with an emollient. If irritation persists, seek medical attention.
    Wash contaminated clothing before reusing.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate    
    medical attention.
    Inhalation        Allow the victim to rest in a well ventilated area. Seek immediate medical attention.    
    Serious Inhalation        Not available.    
    Ingestion        Do not induce vomiting. 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. Loosen
    tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Seek immediate medical attention.
    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: >94°C (201.2°F). (Pensky-Martens.)    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2).    
    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

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.
    Igepal CA-720

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 ingest. Do not breathe gas/fumes/
    vapour/spray. Wear suitable protective clothing In case of insufficient ventilation, wear suitable respiratory
    equipment If ingested, seek medical advice immediately and show the container or the label. Avoid contact with
    skin and eyes
    Storage        Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly    
    closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
    and away from strong oxidizing agents.

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        Splash goggles. Lab coat. Vapor respirator. Be sure to use an approved/certified respirator or equivalent.    
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Vapor respirator. Boots. Gloves. A self contained breathing apparatus should be
    a Large Spill        used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Liquid.        Odor        Aromatic.    
    Taste        Not available.    
    749 g/mole
    Molecular Weight
    Color        Pale yellow    
    pH (1% soln/water)        Not available.    
    >200°C (392°F)
    Boiling Point
    Melting Point        10°C (50°F)    
    Not available.
    Critical Temperature
    Specific Gravity        Not available.    
    Vapor Pressure        <0.01 mm of Hg (@ 20°C)    
    Vapor Density        Not available.    
    Volatility        <0.5% (v/v).    
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Not available.
    Ionicity (in Water)
    Dispersion Properties        See solubility in water.    
    Solubility        Soluble in hot water.    
    Partially soluble in cold water.
    Igepal CA-720

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Not available.
    Conditions of Instability
    Slightly reactive to reactive with oxidizing agents, reducing agents.
    Incompatibility with various
    substances
    Corrosivity        Non-corrosive in presence of glass.    
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        No.    

Section 11. Toxicological Information
    Routes of Entry        Absorbed through skin. Dermal contact. Eye contact. Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): 510 mg/kg [Rat].    
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Hazardous in case of skin contact (irritant), of ingestion, of inhalation (lung irritant).    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Not available.    
    Toxic Effects on Humans

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    BOD5 and COD        Not available.    
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    The products of degradation are less toxic than the product itself.
    Toxicity of the Products
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation
    Igepal CA-720

Section 13. Disposal Considerations
    Waste Disposal

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: Igepal CA-720
    Federal and State
    TSCA 8(a) PAIR: Igepal CA-720
    Regulations
    TSCA 8(d) H and S data reporting: Igepal CA-720: 03/29/96
    California
    Proposition 65
    Warnings
    Other Regulations        Not available..    
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R22- Harmful if swallowed.    
    R36/37/38- Irritating to eyes,
    respiratory system and skin.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    h
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    Igepal CA-720
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Vapor respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:74.91

2   摩尔体积m3/mol261.8

3   等张比容(90.2K):619.0

4   表面张力dyne/cm31.2

5   极化率10-24cm329.69

计算化学数据


1、   疏水参数计算参考值(XlogP):5.5

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:11

5、   拓扑分子极性表面积(TPSA):29.5

6、   重原子数:19

7、   表面电荷:0

8、   复杂度:186

9、   同位素原子数量:0

10、           确定原子立构中心数量:0

11、           不确定原子立构中心数量:0

12、           确定化学键立构中心数量:0

13、           不确定化学键立构中心数量:0

14、           共价键单元数量:1

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