87188-51-0 (叔丁基4-乙烯基苯基碳酸酯,Carbonic acid,1,1-dimethylethyl 4-ethenylphenyl ester)

CAS号:
87188-51-0
中文名称:
叔丁基4-乙烯基苯基碳酸酯
英文名称:
Carbonic acid,1,1-dimethylethyl 4-ethenylphenyl ester
分子式:
C13H16O3
分子量:
220.264344215393

叔丁基4-乙烯基苯基碳酸酯(87188-51-0)名称与标识符

名称

中文别名:
4-乙烯基苯基碳酸叔丁酯;叔丁基4-乙烯基苯基碳酸酯;
英文别名:
Carbonic acid,1,1-dimethylethyl 4-ethenylphenyl ester;tert-butyl (4-ethenylphenyl) carbonate;1,1-Dimethylethyl 4-ethenylphenyl carbonate;4-BOC-styrene;4-tert-butoxycarbonyloxystyrene;4-tertiarybutoxycarbonyloxystyrene;C-1566;para-tert-butoxycarbonyloxystyrene;Para-tert-Butoxycarbonyloxystyrol;p-tert-Butoxycarbonyloxystyrene monomer;t-BOC-styrene;TBSM;t-butyl 4-vinylphenyl carbonate;tert-butyl 4-vinylphenyl carbonate;1,1-Dimethylethyl 4-ethenylphenyl carbonate (ACI);4-(tert-Butoxycarbonyloxy)styrene;4-t-Butyloxycarbonyloxystyrene;p-(tert-Butoxycarbonyloxy)styrene;tert-Butyl p-vinylphenyl carbonate;4-(t-butoxycarbonyloxy)styrene;4-tert-butyloxycarbonyloxystyrene;p-tert-butoxycarbonyloxystyrene;87188-51-0;4-t-butoxycarbonyloxystyrene;BS-49263;MFCD00145182;tert-Butyl (4-vinylphenyl) carbonate;4-tertiary-butoxycarbonyloxystyrene;1,1-Dimethylethyloxycarbonic acid 4-ethenylphenyl ester;DB-166619;SCHEMBL220773;4-(t-butyloxycarbonyloxy)styrene;DTXSID2073695;p-tertbutoxycarbonyloxystyrene;tert-butyl 4-ethenylphenyl carbonate;TERT-BUTYL4-VINYLPHENYLCARBONATE;p-t-butoxycarbonyloxystyrene;Carbonic acid, 1,1-dimethylethyl 4-ethenylphenyl ester;

标识符

MDL:
MFCD00145182
InChIKey:
GJWMYLFHBXEWNZ-UHFFFAOYSA-N
Inchi:
1S/C13H16O3/c1-5-10-6-8-11(9-7-10)15-12(14)16-13(2,3)4/h5-9H,1H2,2-4H3
SMILES:
O=C(OC(C)(C)C)OC1C=CC(C=C)=CC=1

叔丁基4-乙烯基苯基碳酸酯(87188-51-0)物化性质

实验特性

  • LogP : 3.64350
  • PSA : 35.53000
  • 折射率 : 1.5090 (estimate)
  • 沸点 : 187 °C(lit.)
  • 熔点 : 27-29 °C(lit.)
  • 闪点 : >230 °F
  • 颜色与性状 : 固体
  • 溶解性 : 未确定
  • 密度 : 1.1101 (rough estimate)

计算特性

  • 精确分子量 : 220.11000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 5
  • 同位素质量 : 220.11
  • 重原子数量 : 16
  • 复杂度 : 244
  • 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) : 3.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 35.5A^2

叔丁基4-乙烯基苯基碳酸酯(87188-51-0)安全信息

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叔丁基4-乙烯基苯基碳酸酯(87188-51-0)合成路线

合成路线:1 步
反应条件:
参考文献:
Mesoscale Block Copolymers
Barber, Dylan M.; et al, Advanced Materials (Weinheim, 2018, 30(13),
合成路线:1 步
反应条件:
参考文献:
Synthesis of para-tert-butoxycarbonyloxystyrene
, European Patent Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Effect of glass transition temperature on heat-responsive gas bubbles formation from polymers containing tert-butoxycarbonyl moiety
Iseki, Masashi; et al, Journal of Applied Polymer Science, 2018, 135(19),
合成路线:1 步
反应条件:
参考文献:
Thermal degradation behavior of polymers containing tert-butoxycarbonyl group in side chain and application to dismantlable adhesion materials
Suzuki, Fumiya; et al, Nippon Setchaku Gakkaishi, 2017, 53(1), 4-10
合成路线:1 步
反应条件:
参考文献:
Method for producing hydroxystyrene derivatives from hydroxybenzaldehyde derivatives and dibromomethane
, Japan, , ,
合成路线:1 步
反应条件:
参考文献:
Study on the synthetic process of monomers of p-hydroxystyrene and its derivatives for 248 nm photoresist
Song, Guoqiang; et al, Huagong Xinxing Cailiao, 2011, 39(7), 85-87
合成路线:1 步
反应条件:
参考文献:
Synthetic improvement of [[(tert-butoxy)carbonyl]oxy]styrene intermediate of monomer of poly (p-hydroxystyrene)
Liu, Jian-Guo; et al, Yingyong Huaxue, 2007, 24(3), 361-364
合成路线:1 步
反应条件:
参考文献:
A novel synthesis of p-tert-butoxycarbonyloxystyrene
Liu, Jian-Guo; et al, Yingyong Huaxue, 2008, 25(4), 424-428
合成路线:2 步
反应条件:
参考文献:
Study on the synthetic process of monomers of p-hydroxystyrene and its derivatives for 248 nm photoresist
Song, Guoqiang; et al, Huagong Xinxing Cailiao, 2011, 39(7), 85-87
合成路线:2 步
反应条件:
参考文献:
A novel synthesis of p-tert-butoxycarbonyloxystyrene
Liu, Jian-Guo; et al, Yingyong Huaxue, 2008, 25(4), 424-428
合成路线:2 步
反应条件:
参考文献:
Synthetic improvement of [[(tert-butoxy)carbonyl]oxy]styrene intermediate of monomer of poly (p-hydroxystyrene)
Liu, Jian-Guo; et al, Yingyong Huaxue, 2007, 24(3), 361-364
合成路线:2 步
反应条件:
参考文献:
Effect of glass transition temperature on heat-responsive gas bubbles formation from polymers containing tert-butoxycarbonyl moiety
Iseki, Masashi; et al, Journal of Applied Polymer Science, 2018, 135(19),
合成路线:2 步
反应条件:
参考文献:
Thermal degradation behavior of polymers containing tert-butoxycarbonyl group in side chain and application to dismantlable adhesion materials
Suzuki, Fumiya; et al, Nippon Setchaku Gakkaishi, 2017, 53(1), 4-10
合成路线:3 步
反应条件:
参考文献:
A novel synthesis of p-tert-butoxycarbonyloxystyrene
Liu, Jian-Guo; et al, Yingyong Huaxue, 2008, 25(4), 424-428

叔丁基4-乙烯基苯基碳酸酯(87188-51-0) MSDS

基础信息

Name:p-tert-Butoxycarbonyloxystyrene Material Safety Data Sheet
Synonym:None
CAS:87188-51-0
Section 1 - Chemical Product ? MSDS Name:p-tert-Butoxycarbonyloxystyrene Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
87188-51-0p-tert-Butoxycarbonyloxystyrene100.0unlisted
Hazard Symbols: None Listed.
Risk Phrases: 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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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. 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:
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:
Antidote: None reported.

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 appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 87188-51-0: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 187 deg C @ 760.00mm Hg
Freezing/Melting Point: 27 - 29 deg C
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H16O3
Molecular Weight: 220.27

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 87188-51-0: FG0460000 LD50/LC50:
CAS# 87188-51-0: Draize test, rabbit, skin: 500 uL Mild; Skin, rabbit: LD50 = >2 gm/kg.
Carcinogenicity:
p-tert-Butoxycarbonyloxystyrene - 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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 87188-51-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 87188-51-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 87188-51-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A