2,4-二叔戊基苯酚

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

2,4-二叔戊基苯酚 基本信息

中文名称:
2,4-二叔戊基苯酚 
中文别名:
2,4-二叔戊基苯酚;
2,4-二叔戊基苯;
2,4-二特戊基苯酚;
2,4-双(1,1-二甲基丙基)苯酚 
英文名称:
Phenol,2,4-bis(1,1-dimethylpropyl)-
英文别名:
2,4-Di-tert-pentylphenol;
2,4-Di-Tert-Pentylphenol;
2,4-Di-tert-amylphenol;
2,4-bis(2-methylbutan-2-yl)phenol;
2,4-Bis(1,1-dimethylpropyl)phenol 
CAS No.:
120-95-6
分 子 式:

C16H26O

分 子 量:
234.38
精确分子量:
234.19800
PSA:
20.23000
MDL:
MFCD00041929
EINECS:
204-439-0
InChI:
InChI=1/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
危险品标志:

风险术语:

R22;R36/38   

安全术语:
S26;S37/39
分子结构式:
SDS:
查看

2,4-二叔戊基苯酚 物化性质

外观与性状:
透明至淡黄色半固体
密度:
0.930 g/mL at 25 °C(lit.)
熔点:
25 °C(lit.)
沸点:
169-170 °C22 mm Hg(lit.)
闪点:
>230 °F
折射率:
1.506-1.508
蒸汽压:
0.00167mmHg at 25°C
其它信息:

1.         密度:0.930

2.         折光率:1.506~1.508

3.         闪点():143

4.         熔点():25

2,4-二叔戊基苯酚 安全信息

包装等级:
I; II; III
海关代码:
2907199090
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R22;R36/38
安全说明:
S26-S37/39
RTECS号:
SL3500000
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。
:
危险标志:
Xn:Harmful;

2,4-二叔戊基苯酚 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL3500000
CHEMICAL NAME :
Phenol, 2,4-di-tert-pentyl-
CAS REGISTRY NUMBER :
120-95-6
BEILSTEIN REFERENCE NO. :
2370274
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H26-O
MOLECULAR WEIGHT :
234.42
WISWESSER LINE NOTATION :
2X1&1&R XQ XX2&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
330 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967

2,4-二叔戊基苯酚 MSDS

Name: 2 4-Di-Tert-Pentylphenol 96% (GC) Material Safety Data Sheet
Synonym: Di-Tert-Amylphenol; 2,4-Di-Tert-Amylphenol
CAS: 120-95-6
Section 1 - Chemical Product   MSDS Name:2 4-Di-Tert-Pentylphenol 96% (GC) Material Safety Data Sheet
Synonym:Di-Tert-Amylphenol; 2,4-Di-Tert-Amylphenol

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
120-95-6 Phenol, 2,4-Bis(1,1-Dimethylpropyl)- 96 204-439-0
Hazard Symbols: XN
Risk Phrases: 22 36/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Effects may be delayed.

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

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. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Water may be ineffective. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 120-95-6: 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 prevent skin exposure.
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: Solid
Color: yellow
Odor: phenol-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 25 deg C
Autoignition Temperature: Not available.
Flash Point: 143 deg C ( 289.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9300g/cm3
Molecular Formula: C16H26O
Molecular Weight: 234.38

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 120-95-6: SL3500000 LD50/LC50:
CAS# 120-95-6: Draize test, rabbit, eye: 100 mg Moderate; Oral, rat: LD50 = 330 mg/kg.
Carcinogenicity:
Phenol, 2,4-Bis(1,1-Dimethylpropyl)- - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

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

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 120-95-6: No information available.
Canada
CAS# 120-95-6 is listed on Canada's DSL List.
CAS# 120-95-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 120-95-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,4-二叔戊基苯酚 海关数据

中国海关编码:2907199090

概述:
2907199090 其他一元酚. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2,4-二叔戊基苯酚 分子结构与计算化学数据

分子结构数据

 

五、分子性质数据:

1、   摩尔折射率:74.17

2、   摩尔体积m3/mol254.2

3、   等张比容90.2K597.9

4、   表面张力dyne/cm30.5

5、   介电常数:

6、   偶极距10-24cm3

7、   极化率:29.40

计算化学数据

1.疏水参数计算参考值(XlogP):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:4

5.互变异构体数量:3

6.拓扑分子极性表面积20.2

7.重原子数量:17

8.表面电荷:0

9.复杂度:242

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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