壬基苯酚

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

壬基苯酚 基本信息

中文名称:
壬基苯酚 
中文别名:
壬基酚;
对壬基苯酚;
壬酚,壬酚,壬基苯酚 
英文名称:
Nonylphenol
英文别名:
NONYLPHENOL;
4-Nonylphenol,tech.;
C9-Branchedalkylphenol;
Branchedp-nonylphenol;
nonylphenols;
4-Nonylphenol ers;
mixture of ring and chain isomers;
p-nonylphenol,branched;
branched(mixedisomers);
4-nonyl-phenobranched 
CAS No.:
84852-15-3
分 子 式:
C15H24O
分 子 量:
220.35
精确分子量:
220.18300
PSA:
20.23000
MDL:
MFCD00002396
EINECS:
284-325-5
BRN:
2047450
InChI:
InChI=1/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3
风险术语:
R22R34
安全术语:
S26S45S36/S37/S39
分子结构式:
SDS:
查看

壬基苯酚 制备方法及用途

制备方法

用于制备合成洗涤剂、增湿剂、润滑油添加剂、增塑剂等。由壬烯与苯酚在酸性催化剂下缩合而得。

用途简介

壬基苯酚 物化性质

外观与性状:
透明粘性液体
密度:
0.937 g/mL at 25 °C(lit.)
沸点:
293 °C
闪点:
150°C
水溶解性:
5g/L
折射率:
n20/D 1.511(lit.)
其它信息:

1.      液相标准热熔(J·mol-1·K-1):426.8

2.      密度(g/mL25 ºC):0.937

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):293

6.      沸点(ºC0.35mmHg):未确定

7.      折射率:n20/D 1.511

8.      闪点(ºC):150

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,):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(正辛醇/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

壬基苯酚 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22;R34;R50/53
安全说明:
S26-S36/37/39-S45
RTECS号:
SM5650000
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。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C:Corrosive;N:Dangerousfortheenvironment;

壬基苯酚 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SM5650000
CHEMICAL NAME :
Phenol, 4-nonyl-, branched
CAS REGISTRY NUMBER :
84852-15-3
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C15-H24-O
MOLECULAR WEIGHT :
220.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,70,1990
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,70,1990 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1300 mg/kg
TOXIC EFFECTS :
Liver - other changes Blood - hemorrhage Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,70,1990
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3160 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,70,1990
毒理学数据:

1、皮肤/眼睛刺激性:标准Draize实验:兔子,500 mg/24HREACTION SEVERITY,强烈反应;

壬基苯酚 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name 4-Nonylphenol
    Portland OR
    Synonym        Not available.    
    Chemical Formula        C9H19C6H4OH    
    CAS Number        84852-15-3    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    4-Nonylphenol        84852-15-3        --------        Not available.        Rat LD50 (oral) 1620mg/kg    

Section III. Hazards Identification
    Acute Health Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    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. 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.
    There is no known effect from chronic exposure to this product. 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. DO NOT use an eye ointment. Flush eyes with running water for a minimum
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    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. Cover the
    irritated skin with an emollient. Seek medical attention. Treat symptomatically and supportively. Wash any contaminated
    clothing before reusing.
    If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
    Inhalation
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    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, administer artificial respiration.
    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. Seek immediate medical attention and, if possible,
    show the chemical label. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    Flash Points        Flammable Limits        Not available.    
    150°C (302°F).
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2).
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Continued on Next Page
    4-Nonylphenol

Section VI.        Accidental Release Measures    
    Spill Cleanup        Irritating material.    
    Instructions        Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Finish cleaning the    
    spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities
    for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        IRRITANT. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the    
    container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. Do not breathe gas, fumes,
    Information
    vapor or spray. In case of insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical advice
    immediately and show the container or the label. Treat symptomatically and supportively. Avoid contact with skin and
    eyes.
    Always store away from incompatible compounds such as oxidizing agents, alkalis (bases).

Section VIII. 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 station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be 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 IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Viscous colorless liquid.        Inosluble in water.    
    Soluble in benzene, chlorinated solvents,
    0.94        ancline, heptane, aliphathic alcohols, and    
    Specific Gravity
    ethylene glycol.
    Molecular Weight        220.35        Partition Coefficient    
    Not available.
    Boiling Point        293-297°C        Vapor Pressure        Not available.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Refractive Index        1.513        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Slight phenolic odor.    
    Viscosity        Comparitively high.        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
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with strong oxidizing agents, strong alkalis (bases).

Section XI. Toxicological Information
    RTECS Number        SM5600000    
    Routes of Exposure        Eye contact. Ingestion. Inhalation. Skin contact.    
    Toxicity Data        Rat LD50 (oral) 1620mg/kg    
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    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. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    Continued on Next Page
    4-Nonylphenol

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        p-Nonylphenol's production and use in the preparation of lubricating oil additives, resins, plasticizers, surface active    
    agents, in stabilizers, petroleum demulsifiers, fungicides, antioxidants for rubbers and plastics, and as a starting material
    for the production of phenolic resins may result in its release to the environment through various waste streams. A major
    source of p-nonylphenol in the envrionment is as a biodegradation product of nonylphenyl ethoxylates. p-Nonylphenol has
    been identified in drinking water, ground water, river and lake water, sewage treatment plant effluent, and is a prominent
    contaminant in sewage sludge. If released to soil, p-nonylphenol will have no mobility. p-Nonylphenol will not be
    susceptible to direct photolysis on soil surfaces or in water based upon its lack of absorption of light at wave lengths
    >290 nm. Biodegradation of p-nonylphenol will occur rapidly in aerobic soils, but is inhibited in anaerobic soil
    conditions. If released to water, p-nonylphenol should adsorb to suspended solids and sediment. p-Nonylphenol may
    volatilize from water surfaces based on an estimated Henry's Law constant of 3.4X10-5 atm-cu m/mole with estimated
    half-lives for a model river and model lake of 1.8 days and 18 days, respectively. Volatilization half-lives from a model
    pond, can be estimated to be about 19.6 days if the effect of adsorption to sediment is ignored and 5.8 years when the
    effect of maximum adsorption is considered. Experimental BCF values of 281, 1300, and 3400 suggest that p-nonylphenol
    will bioconcentrate in aquatic organisms. Biodegradation of p-nonylphenol should occur rapidly in water. If released to the
    atmosphere, p-nonylphenol will exist in the vapor phase. Vapor-phase p-nonylphenol is degraded in the atmosphere by
    reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 7.5 hours. Reactions with
    nitrate radicals may also be important. The general population may be exposed to p-nonylphenol through drinking
    water.(SRC)

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may dissolve or mix material with a
    Waste Disposal
    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 this substance.

Section XIV. Transport Information
    DOT Classification
    DOT CLASS 8: Corrosive liquid.
    PIN Number
    Proper Shipping Name        Alkylphenols, liquid, n.o.s.    
    Packing Group (PG)        III    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is ON the Toxic Substances Control Act (TSCA) list.    
    (EPA)
    WHMIS Classification
    Not available.
    (Canada)
    EINECS Number (EEC) 203-199-4
    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

壬基苯酚 分子结构与计算化学数据

计算化学数据

1、   疏水参数计算参考值(XlogP):5.6

2、   氢键供体数量:1

3、   氢键受体数量:1

4、   可旋转化学键数量:7

5、   互变异构体数量:2

6、   拓扑分子极性表面积(TPSA):20.2

7、   重原子数量:16

8、   表面电荷:0

9、   复杂度:157

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:1

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