122406-45-5 (1,3-二甲氧基-4-叔丁基杯芳烃,Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy-)

快速询单

结构式：

1,3-二甲氧基-4-叔丁基杯芳烃MOL文件

CAS号：

122406-45-5

中文名称：

1,3-二甲氧基-4-叔丁基杯芳烃

英文名称：

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy-

分子式：

C₄₆H₆₀O₄

分子量：

676.966214179993

1,3-二甲氧基-4-叔丁基杯芳烃(122406-45-5)名称与标识符

名称

中文别名：

1,3-二甲氧基-4-叔丁基杯芳烃;七氟钽铵酸;1,3-二甲氧基-4-叔丁基杯[4]芳烃;

英文别名：

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy-;1,3-DIMETHOXY-4-TERT-BUTYLCALIX(4)ARENE;Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-do...;1,3-DIMETHOXY-4-TERT-BUTYLCALIX[4]ARENE;24,26-dimethoxy-25,27-dihydroxy-5,11,17,23-tetra(4-tert-butyl)calix[4]arene;5,11,17,23-tetra(tert-butyl)-25,27-dimethoxy-26,28-dihydroxycalix[4]arene;5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-dihydroxy-26,28-dimethoxycalix[4]arene;5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-bis(methyloxy)calix[4]arenetitanium(IV) dic;5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene;1,3-Dimethoxy-4-tert-butylcalix[4]arene,99%;1,3-DIMETHOXY-4-TERT-BUTYLCALIX[4]ARENE 99%;5,11,17,23-tetra-t-butyl-25,27-dihydroxy-26,28-dimethoxycalix[4]arene;5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol;122406-45-5;MFCD00142526;1,3-Dimethoxy-2,4-dihydroxy-tert-butylcalix[4]arene;15,35,55,75-Tetra-tert-butyl-32,72-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol;E84135;AKOS003615734;5,11,17,23-TETRA-TERT-BUTYL-26,28-DIMETHOXYPENTACYCLO[19.3.1.1(3),?.1?,(1)(3).1(1)?,(1)?]OCTACOSA-1(25),3,5,7(28),9(27),10,12,15,17,19(26),21,23-DODECAENE-25,27-DIOL;

标识符

MDL：

MFCD00142526

InChIKey：

SDNQRJYYUPMBIV-UHFFFAOYSA-N

Inchi：

1S/C46H60O4/c1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47/h19-26,47-48H,15-18H2,1-14H3

SMILES：

O(C)C1C2=CC(=CC=1CC1C(=C(C=C(C=1)C(C)(C)C)CC1C=C(C=C(C=1OC)CC1C(=C(C=C(C=1)C(C)(C)C)C2)O)C(C)(C)C)O)C(C)(C)C

1,3-二甲氧基-4-叔丁基杯芳烃(122406-45-5)物化性质

实验特性

LogP : 10.98160
PSA : 58.92000
折射率 : 1.6400 (estimate)
沸点 : 651.37°C (rough estimate)
闪点 : 384.9°C
颜色与性状 : 无可用
溶解性 : 无可用
密度 : 0.9426 (rough estimate)

计算特性

精确分子量 : 676.44900
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 6
同位素质量 : 676.449
重原子数量 : 50
复杂度 : 949
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） : 13.6
拓扑分子极性表面积 : 58.9Å²

1,3-二甲氧基-4-叔丁基杯芳烃(122406-45-5)安全信息

安全术语： S24/25
安全说明： S24/25

1,3-二甲氧基-4-叔丁基杯芳烃(122406-45-5)推荐厂家更多厂家(5)

公司名称	手机号/电话	联系人	QQ	询单
郑州阿尔法化工有限公司	15324716602 0371-55013243	刘经理	2853979810	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单

1,3-二甲氧基-4-叔丁基杯芳烃(122406-45-5)上下游

O(1),O(3)-双(羧基甲基)-O(2),O(4)-二甲基对叔丁基杯芳烃 O(1),O(3)-双(乙酸基甲基)-O(2),O(4)-二甲基对叔丁基杯芳烃

1,3-二甲氧基-4-叔丁基杯芳烃(122406-45-5) MSDS

基础信息

Name:	1,3-Dimethoxy-4-tert-butylcalix[4]arene, 99% (tlc) Material Safety Data Sheet
Synonym:	None Known.
CAS:	122406-45-5

Section 1 - Chemical Product MSDS Name: 1,3-Dimethoxy-4-tert-butylcalix[4]arene, 99% (tlc) Material Safety Data Sheet
Synonym: None Known.

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
122406-45-5	1,3-Dimethoxy-4-tert-butylcalix[4]aren	99	unlisted

+++++
Hazard Symbols: None Listed.

SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

SECTION 4 - FIRST AID MEASURES
Eyes:
In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
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.
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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 122406-45-5: 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 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C46H60O4
Molecular Weight: 676.97

SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
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# 122406-45-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Dimethoxy-4-tert-butylcalix[4]arene - Not listed by ACGIH, IARC, or NTP.

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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 122406-45-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 122406-45-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 122406-45-5 is not listed on the TSCA inventory. It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #3 Date: 2/18/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A