104-40-5 (4-壬基苯酚,p-n-Nonylphenol Standard)

结构式：

4-壬基苯酚MOL文件

CAS号：

104-40-5

中文名称：

4-壬基苯酚

英文名称：

p-n-Nonylphenol Standard

安全信息：

分子式：

C₁₅H₂₄O

分子量：

220.350464820862

API：

Nonylphenol

4-壬基苯酚(104-40-5)名称与标识符

名称

中文别名：

4-壬基苯酚;对壬基苯酚;4-正壬氧基苯酚;4-正壬基苯酚;4-正壬基酚;对壬基酚;壬基酚;4-壬基酚;4-壬苯酚;聚乙烯亚胺季铵盐;对壬基酚(标准品);4-正壬氧基苯酚, 98+%;4-正壬基苯酚, 98+%;4-正壬基酚溶液,100PPM;

英文别名：

4-n-Nonylphenol;1-(4-Hydroxyphenyl)nonane;4-n-Nonylphenolneat;4-Nonylphenol;p-nonyl-pheno;para-nonylphenol;p-NP;PNP;p-Nonylhenol;P-NONYLPHENOL;4-nonyl-pheno;4-n-Nonylpheno;P-N-NONYLPHENOL;Phenol, p-nonyl-;4-Nonyl phenol;4-n-Nonyl phenol;Phenol, 4-nonyl-;4-N-NONYLPHENOL-D4;p-n-Nonylphenol Standard;

标识符

MDL：

MFCD00002396

InChIKey：

IGFHQQFPSIBGKE-UHFFFAOYSA-N

Inchi：

1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3

SMILES：

C1(O)=CC=C(CCCCCCCCC)C=C1

BRN：

2047450

4-壬基苯酚(104-40-5)物化性质

实验特性

LogP : 4.68530
PSA : 20.23000
折射率 : 1.4970 (589.3 nm 20 ºC)
沸点 : 293-297 °C
熔点 : 43-45 ºC
蒸气压 : 0.0±0.7 mmHg at 25°C
闪点 : 华氏：235.4 °F
摄氏：113 °C
溶解度 : 几乎不溶 (0.02 g/L) (25 ºC),
颜色与性状 : 浅黄色黏稠液体，略有苯酚气味。
稳定性 : Stable. Incompatible with strong oxidizing agents.
溶解性 : 溶于苯、苯胺、庚烷、脂肪醇、乙二醇等，几乎不溶于水或稀碱溶液。
密度 : 0.9273 g/cm3 (20 ºC)

计算特性

精确分子量 : 220.18300
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 8
同位素质量 : 220.183
重原子数量 : 16
复杂度 : 148
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 20.2A^2

4-壬基苯酚(104-40-5)安全信息

符号： GHS05 GHS07 GHS09
RTECS号： SM5650000
WGK Germany： 3
安全术语： 8
安全说明： S26-S36/37/39-S45-S61-S60
包装等级： III
包装类别： III
风险术语： R22; R34; R52/53
危险等级： 8
危险品标志： C N
危险品运输编号： UN 3145 8/PG 2
危害声明：H302,H314,H410
警示性声明：P273,P280,P305+P351+P338,P310,P501
储存条件： room temp
PackingGroup： III
危险类别码： 63-22-34-50/53-62
信号词： Danger
TSCA： Yes
HazardClass： 8

4-壬基苯酚(104-40-5)国际标准相关数据

EINECS：

203-199-4

4-壬基苯酚(104-40-5)海关数据

海关编码：

2907131000

海关数据：

中国海关编码：

2907131000

概述：

2907131000 壬基酚、对壬基酚、支链-4-壬基酚〔包括4-壬基苯酚、壬基苯酚〕。监管条件:X(有毒化学品环境管理放行通知单)。增值税率:17.0%。退税率:9.0%。最低关税:5.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 原产地证据文件及编号(例附原产地证书, 原产于印度、台湾的

监管条件：

X.有毒化学品环境管理放行通知单

Summary：

2907131000 4-nonylphenol。supervision conditions:x(environment control release notice for poisonous chemicals)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:30.0%

4-壬基苯酚(104-40-5)生产方法和用途

用途：

一部分是阴离子表面活性剂，绝大部分为非离子表面活性剂，即壬基酚聚氧乙烯醚。具有良好的耐酸碱，抗氧化，润湿、乳化、清洗性能，应用广泛。

4-壬基苯酚(104-40-5)相关文献

1. Guidelines for alkylphenols estimation as alkylphenol polyethoxylates pollution indicator in wastewater treatment plant effluents
Y. Moliner-Martínez,J. M. Pastor-Carbonell,A. Bouzas,A. Seco,M. R. Abargues,P. Campíns-Falcó Anal. Methods 2013 5 2209
2. Simultaneous quantification of bisphenol A, alkylphenols and alkylphenol ethoxylates in indoor dust by gas chromatography-tandem mass spectrometry and a comparison between two sampling techniques
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3. Fate of endocrine disruptor compounds in an anaerobic membrane bioreactor (AnMBR) coupled to an activated sludge reactor
M. R. Abargues,J. Ferrer,A. Bouzas,A. Seco Environ. Sci.: Water Res. Technol. 2018 4 226
4. Evaluation of four mathematical models to describe dissipation kinetics of 4-n-nonylphenol and bisphenol-A in groundwater–aquifer material slurry
Ajit K. Sarmah,Maheswaran Rohan J. Environ. Monit. 2011 13 157
5. Simultaneous determination of sixteen industrial pollutants in infant formula milk powder by dispersive solid phase extraction coupled with ultra-high performance liquid chromatography-tandem mass spectrometry
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6. Magnetic retrieval of ionic liquid formed during in situ metathesis dispersive liquid–liquid microextraction–preconcentration of selected endocrine disrupting phenols from an enlarged sample volume
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7. Simultaneous quantification of five phenols in settled house dust using ultra-high performance liquid chromatography-tandem mass spectrometry
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8. Comparison of GC-MS/MS and LC-MS/MS for the analysis of hormones and pesticides in surface waters: advantages and pitfalls
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9. Estrogenic activity profiles and risks in surface waters and sediments of the Pearl River system in South China assessed by chemical analysis and in vitro bioassay
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10. Magnetic nanoparticle assisted dispersive liquid–liquid microextraction for the determination of 4-n-nonylphenol in water
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4-壬基苯酚(104-40-5)参考资料

Beilstein：

2047450

PubChem CID：

329757165

4-壬基苯酚(104-40-5) MSDS

基础信息

Name:	4-Nonylphenol 99% (GC) Mixture of Isomers Material Safety Data Sheet
Synonym:	p-Nonylphenol
CAS:	104-40-5

Section 1 - Chemical Product ? MSDS Name:4-Nonylphenol 99% (GC) Mixture of Isomers Material Safety Data Sheet
Synonym:p-Nonylphenol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
104-40-5	4-Nonylphenol	99	203-199-4

Hazard Symbols: XI
Risk Phrases: 43 53

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
May cause sensitization by skin contact. May cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Ingestion:
May cause digestive tract disturbances. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water fog, dry chemical, carbon dioxide or alcohol type foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 104-40-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: clear pale yellow
Odor: phenol-like
pH: Not available.
Vapor Pressure: 0.109 Pa @ 25C
Viscosity: Not available.
Boiling Point: 293 - 297 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 141 deg C ( 285.80 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density: .9450g/cm3
Molecular Formula: C15H24O
Molecular Weight: 220.35

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 104-40-5: SM5630000 LD50/LC50:
CAS# 104-40-5: Oral, rat: LD50 = 1620 mg/kg.
Carcinogenicity:
4-Nonylphenol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
? Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S
.*
Hazard Class: 9
UN Number: 3082
Packing Group: III
IMO
Shipping Name: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S
.
Hazard Class: 9
UN Number: 3082
Packing Group: III
RID/ADR
Shipping Name: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S
.
Hazard Class: 9
UN Number: 3082
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 43 May cause sensitization by skin contact.
R 53 May cause long-term adverse effects in the
aquatic environment.
Safety Phrases:
S 24 Avoid contact with skin.
S 37 Wear suitable gloves.
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 104-40-5: 3
Canada
CAS# 104-40-5 is listed on Canada's DSL List.
CAS# 104-40-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 104-40-5 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A