104-40-5

104-40-5结构式

常用中文名：对壬基酚
常用英文名：4-Nonylphenol
CAS号：104-40-5
分子式：C₁₅H₂₄O
分子量：220.350
相关类别：分析化学标准品挥发性有机化合物(VOCs)
发布时间：2018-06-29 17:10:06
更新时间：2024-01-02 19:17:08
【用途一】
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。

中文名	对壬基酚
英文名	4-nonylphenol
中文别名	4-壬基苯酚
英文别名	4-Nonylbenzolol 4-Nonyl phenol 4-n-nonylphenol Phenol, 4-nonyl- EINECS 203-199-4 4-Nonylphenol MFCD00002396

密度	0.9±0.1 g/cm3
沸点	330.6±11.0 °C at 760 mmHg
熔点	43-44°C
分子式	C₁₅H₂₄O
分子量	220.350
闪点	184.2±9.4 °C
精确质量	220.182709
PSA	20.23000
LogP	6.19
外观性状	黏的无色液体带有一种像酚一样的气味
蒸汽压	0.0±0.7 mmHg at 25°C
折射率	1.505
储存条件	储存于阴凉、通风的库房。远离火种、热源、水源。保持容器密封。应与氧化剂分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有合适的材料收容泄漏物。
稳定性	避免与氧化物接触。具有腐蚀性和刺激性，能引起烧伤。使用时应穿防护服。
分子结构	1、摩尔折射率：70.11 2、摩尔体积（cm³/mol）：236.2 3、等张比容（90.2K）：577.3 4、表面张力（dyne/cm）：35.6 5、介电常数： 6、偶极距（10^-24cm³）： 7、极化率：27.79
计算化学	1.疏水参数计算参考值（XlogP）:无 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:8 5.互变异构体数量:2 6.拓扑分子极性表面积20.2 7.重原子数量:16 8.表面电荷:0 9.复杂度:148 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
更多	1. 性状：浅黄色黏稠液体，略有苯酚气味。 2. 相对密度（g/mL,20/20℃）：0.950 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：42.5 5. 沸点（ºC,常压）：180.5²⁰ 6. 常温折射率（n²⁵）：1.4920^45.5 7. 折射率：1.513 8. 闪点（ºC）：110(开杯) 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（mmHg,ºC）：未确定 12. 饱和蒸气压（kPa, ºC）：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：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。

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

毒理学数据:

1、急性毒性：大鼠经口LD50：1620mg/kg；

2、口服有毒。

生态学数据:

对水是极其危害的，对鱼类有毒性，切勿让产品进入水体。

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SM5630000

CHEMICAL NAME :: Phenol, p-nonyl-

CAS REGISTRY NUMBER :: 104-40-5

BEILSTEIN REFERENCE NO. :: 2047450

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C15-H24-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1620 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB85-143766 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6956 No. of Facilities: 1009 (estimated) No. of Industries: 10 No. of Occupations: 17 No. of Employees: 16739 (estimated) No. of Female Employees: 3822 (estimated)

符号	GHS05, GHS07, GHS08, GHS09
信号词	Danger
危害声明	H302-H314-H361-H411
警示性声明	P260-P280-P301 + P312 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
个人防护装备	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
危害码 (欧洲)	C: Corrosive;
风险声明 (欧洲)	R22;R34;R52/53
安全声明 (欧洲)	S26-S36/37/39-S45-S61-S60
危险品运输编码	UN 3145 8/PG 2
WGK德国	3
RTECS号	SM5650000
包装等级	III
危险类别	8
海关编码	2907131000

14392-69-9

~85%

104-40-5

文献：Corti, A.; Frassinetti, S.; Vallini, G.; D'Antone, S.; Fichi, C.; Solaro, R. Environmental Pollution (Amsterdam, Netherlands), 1995 , vol. 90, # 1 p. 83 - 88

32604-44-7

104-40-5

文献：WO2004/54954 A1, ; Page 14 ;

4397-53-9

104-40-5

文献：Chemical and Pharmaceutical Bulletin, , vol. 37, # 6 p. 1619 - 1621

111-83-1

104-40-5

文献：Chemical and Pharmaceutical Bulletin, , vol. 37, # 6 p. 1619 - 1621

32588-84-4

~99%

104-40-5

文献：Ohsawa; Hatano; Kayoh; Kotabe; Oishi Tetrahedron Letters, 1992 , vol. 33, # 38 p. 5555 - 5558

764-85-2

104-40-5

文献：Journal fuer Praktische Chemie (Leipzig), , vol. 331, # 4 p. 617 - 630

108-95-2

104-40-5

文献：Environmental Pollution (Amsterdam, Netherlands), , vol. 90, # 1 p. 83 - 88

103526-64-3

104-40-5

文献：Xenobiotica, , vol. 28, # 8 p. 745 - 757

上游产品 8
14392-69-9 32604-44-7 4397-53-9 111-83-1
32588-84-4 764-85-2 108-95-2 103526-64-3
下游产品 10
20427-84-3 103526-64-3 32604-44-7 6178-32-1
1258-75-9 7598-63-2 79494-14-7 93913-80-5
59986-54-8 62529-25-3

海关编码	2907131000
中文概述	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%

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