1,6-二仲丁基苯酚; 双邻仲丁基酚

  • 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

1,6-二仲丁基苯酚; 双邻仲丁基酚 基本信息

中文名称:
1,6-二仲丁基苯酚; 双邻仲丁基酚 
中文别名:
2,6-二仲丁基苯酚;
双邻仲丁基酚 
英文名称:
Phenol,2,6-bis(1-methylpropyl)-
英文别名:
2,6-di(butan-2-yl)phenol;
2,6-DI-SEC-BUTYL PHENOL;
PHENOL,2,6-DI-sec-BUTYL;
EINECS 226-854-6;
Di-sec-butylphenol,mixed isomers 
CAS No.:
5510-99-6
分 子 式:
C14H22O
分 子 量:
206.32
精确分子量:
206.16700
PSA:
20.23000
MDL:
MFCD00009330
EINECS:
226-854-6
InChI:
The Key: FHTGJZOULSYEOB-UHFFFAOYSA-N
危险品标志:
风险术语:
R36/37/38   
安全术语:
S24/25
分子结构式:
SDS:
查看

1,6-二仲丁基苯酚; 双邻仲丁基酚 物化性质

外观与性状:
琥珀色液体
密度:
0.918
熔点:
-42ºC
沸点:
255-260ºC
闪点:
127ºC
折射率:
1.507-1.511
稳定性相关:

常温常压下稳定。与强氧化剂反应。

其它信息:

1.      性状:黄色透明液体

2.      密度(g/mL,25):0.918

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-42

5.      沸点(ºC,常压):255-260

6.      沸点(ºC,0.5mmHg):未确定

7.      折射率(n20/D)1.508

8.      闪点(ºC):127

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,20ºC):<0.01

12.   饱和蒸气压(kPa,25ºC):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

1,6-二仲丁基苯酚; 双邻仲丁基酚 安全信息

包装等级:
III
海关代码:
2907199090
危险类别码:
R36/37/38
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。
S27:立刻除去所有污染衣物。
S28:接触皮肤之后,立即使用大量皂液洗涤。
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)。
S24/25:防止皮肤和眼睛接触。
:
危险标志:
Xi: Irritant;

1,6-二仲丁基苯酚; 双邻仲丁基酚 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SK8225000
CHEMICAL NAME :
Phenol, 2,6-di-sec-butyl-
CAS REGISTRY NUMBER :
5510-99-6
BEILSTEIN REFERENCE NO. :
2258305
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C14-H22-O
MOLECULAR WEIGHT :
206.36
WISWESSER LINE NOTATION :
2Y1&R BQ CY2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,228,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,228,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - altered sleep time (including change in righting reflex) Behavioral - analgesia
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - sleep
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1350,1980
毒理学数据:

1、皮肤/眼睛刺激性

标准的Draize试验:兔子,皮肤接触:2mg/24H;反应的严重程度:严重。

标准的Draize试验:兔子,眼睛接触:50μg/24H;反应的严重程度:严重。

2、急性毒性:小鼠经口LD5060mg/kg;兔子经静脉LDLo10mg/kg

1,6-二仲丁基苯酚; 双邻仲丁基酚 MSDS

Name: Di-sec-butylphenol tech. 92+% mixture of isomers predom. Material Safety Data Sheet
Synonym: 2,6-Di-sec-butylfenol; Phenol, 2,6-bis (1-methylpropyl)
CAS: 5510-99-6
Section 1 - Chemical Product   MSDS Name:Di-sec-butylphenol tech. 92+% mixture of isomers predom. Material Safety Data Sheet
Synonym:2,6-Di-sec-butylfenol; Phenol, 2,6-bis (1-methylpropyl)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5510-99-6 Di-sec-butylphenol, tech. (predom. 2,6 92+ 226-854-6
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. 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 breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. 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.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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:
Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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# 5510-99-6: 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: Liquid
Color: Amber Liquid
Odor: None reported.
pH: Not available.
Vapor Pressure: < 0.1 mm Hg @ 20 C
Viscosity: Not available.
Boiling Point: 255.0 - 260.0 deg C @ 760.00m
Freezing/Melting Point: -42 deg C
Autoignition Temperature: Not available.
Flash Point: 127 deg C ( 260.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9180g/cm3
Molecular Formula: C14H22O
Molecular Weight: 206.33

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.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 5510-99-6: SK8225000 LD50/LC50:
CAS# 5510-99-6: Draize test, rabbit, eye: 50 ug/24H Severe; Draize test, rabbit, skin: 2 mg/24H Severe.
Intravenous, rabbit: LDLo = 10 Carcinogenicity:
Di-sec-butylphenol, tech. (predom. 2,6-isomer) - 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
Shipping Name: ALKYLPHENOLS, LIQUID, N.O.S.
Hazard Class: 8
UN Number: 3145
Packing Group: III
IMO
Shipping Name: ALKYLPHENOLS, LIQUID, N.O.S.
Hazard Class: 8
UN Number: 3145
Packing Group: III
RID/ADR
Shipping Name: ALKYLPHENOLS, LIQUID, N.O.S.
Hazard Class: 8
UN Number: 3145
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 5510-99-6: No information available.
Canada
CAS# 5510-99-6 is listed on Canada's NDSL List.
CAS# 5510-99-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5510-99-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1,6-二仲丁基苯酚; 双邻仲丁基酚 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%

1,6-二仲丁基苯酚; 双邻仲丁基酚 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):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:4

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:15

8.表面电荷:0

9.复杂度:160

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:2

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

1,6-二仲丁基苯酚; 双邻仲丁基酚 上游产品

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