4, 4 (5)-二叔丁基二环己基并-18-冠-6

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

4, 4 (5)-二叔丁基二环己基并-18-冠-6 基本信息

中文名称:
4, 4 (5)-二叔丁基二环己基并-18-冠-6 
中文别名:
4’, 4’’ (5’’)-二叔丁基二环己基并-18-冠-6;
4',4'' (5'')-二叔丁基二环己基并-18-冠-6 
英文名称:
4,4(5)-Di-tert-butyldicyclohexano-18-crown-6
英文别名:
AGN-PC-00GOMH;
4',4''(5'')-DI-TERT-BUTYLDICYCLOHEXANO-18-CROWN-6;
dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin,eicosahydro-2,?-bis(1,1-dime;
eicosahydro-2,?-bis(1,1-dimethylethyl)dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyc;
looctadecin;
4', mixture of isomers;
4'' 4 (5 )-DI-TERT.BUTYLDICYCLOHEXANO-18-CROWN-6,MIXTUREOFISOMERS 
CAS No.:
28801-57-2
分 子 式:
C28H52O6
分 子 量:
484.72
精确分子量:
484.37600
PSA:
55.38000
MDL:
MFCD00068562
EINECS:
240-216-4
BRN:
3626927
风险术语:
R23/24/25R36/37/38
安全术语:
S26S45S36/S37/S39
分子结构式:
SDS:
查看

4, 4 (5)-二叔丁基二环己基并-18-冠-6 物化性质

外观与性状:
透明无色粘性液体
密度:
0.984g/cm3
沸点:
190-195ºC0.05 mm Hg(lit.)
闪点:
207.871ºC
折射率:
n20/D 1.485
蒸汽压:
0mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点ºC,常压):190-195/0.05 mm Hg

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.485

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

4, 4 (5)-二叔丁基二环己基并-18-冠-6 安全信息

危险类别码:
R23/24/25;R36/37/38
安全说明:
S26-S28-S36/37/39-S38-S45
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)。
:

4, 4 (5)-二叔丁基二环己基并-18-冠-6 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HP5385300
CHEMICAL NAME :
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-2,?-bis(1,1-dimethylethyl)-
CAS REGISTRY NUMBER :
28801-57-2
LAST UPDATED :
199109
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H52-O6
MOLECULAR WEIGHT :
484.80

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 23,402,1989
生态数据:

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

4, 4 (5)-二叔丁基二环己基并-18-冠-6 MSDS

Name: 4 4"(5")-Di-tert. butyldicyclohexano-18-crown-6 mixture of isomers Material Safety Data Sheet
Synonym:
CAS: 28801-57-2
Section 1 - Chemical Product   MSDS Name:4 4"(5")-Di-tert. butyldicyclohexano-18-crown-6 mixture of isomers Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
28801-57-2 4', 4" (5")-Di-tert. butyldicyclohexan unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Toxic in contact with skin.
Ingestion:
May cause irritation of the digestive tract. Poison by ingestion.
Inhalation:
Causes respiratory tract irritation. Toxic if inhaled.
Chronic:
Not available.

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.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
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:
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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. Isolate area and deny entry.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under nitrogen.

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# 28801-57-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Viscous liquid
Color: clear colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 190 - 195 deg C @ 0.05 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C28H52O6
Molecular Weight: 484.72

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 28801-57-2: HP5385300 LD50/LC50:
Not available.
Carcinogenicity:
4', 4" (5")-Di-tert. butyldicyclohexano-18-crown-6 - 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: Toxic liquid, organic, n.o.s.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: Toxic liquid, organic, n.o.s.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28 After contact with skin, wash immediately
with...
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
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# 28801-57-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 28801-57-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 28801-57-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4, 4 (5)-二叔丁基二环己基并-18-冠-6 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:134.36

2   摩尔体积m3/mol502.0

3   等张比容(90.2K):1165.6

4   表面张力dyne/cm29.0

5   极化率10-24cm353.26

计算化学数据

1.疏水参数计算参考值(XlogP):5

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积55.4

7.重原子数量:34

8.表面电荷:0

9.复杂度:518

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:6

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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