4-乙烯苄基乙酸酯

4-乙烯苄基乙酸酯 基本信息
CAS号 1592-12-7 分子式 C11H12O2
分子量 176.21200 精确质量  176.08400
PSA  26.30000 LogP  2.39270

基本信息 展开↓

CAS号:
1592-12-7
3D弹球模型:
立即前往扯扯看
分子式:
C11H12O2
分子量:
176.21200
中文名称:
4-乙烯苄基乙酸酯
英文名称:
4-Vinylbenzyl acetate
中文别名:
4-乙烯苄基乙酸酯;
4-Vinylbenzyl Acetate 4-Vinylbenzyl Acetate, Stabilized, 95% 4-Vinylbenzyl Acetate Stabilized 95% 4-Vinylbenzyl Acetate, 95%, Stabilized
英文别名:
4-Vinylbenzyl acetate;
(4-ethenylphenyl)methyl acetate
精确分子量/精确质量:
176.08400
极性分子表面积/PSA:
26.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: LEIKPUSDAWATBV-UHFFFAOYSA-N

物化性质展开↓

密度:
1.047g/cm3
沸点:
252.3ºC at 760mmHg
闪点:
110.7ºC
折射率:
1.535-1.538
蒸汽压:
0.0194mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。冷藏温度为4 ºC

稳定性相关:

常温常压下稳定,避免与不相容材料接触。

与强氧化剂,强酸,酸性氯化物,酸酐反应。

其它信息:

1.      性状:浅黄色透明液体

2.      密度(g/mL,25):1.530

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,12mmHg):125

7.      折射率(n20/D)1.535-1.538

8.      闪点(ºC):>93

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):未确定

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

安全信息展开↓

海关代码:
2915390090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 1592-20-7

    4-氯甲基苯乙烯

  • +

  • 127-09-3

    无水醋酸钠

  • ~97%

  • 1592-12-7

    4-乙烯苄基乙酸酯

  • 1592-20-7

    4-氯甲基苯乙烯

  • +

  • 127-08-2

    乙酸钾

  • ~92%

  • 1592-12-7

    4-乙烯苄基乙酸酯

  • 256449-39-5

    256449-39-5

  • 1592-12-7

    4-乙烯苄基乙酸酯

毒理性展开↓

生态数据:

对环境有危害,对水体有污染,禁止进入水体。

MSDS 展开↓

Name: 4-Vinylbenzyl acetate stabilized Material Safety Data Sheet
Synonym:
CAS: 1592-12-7
Section 1 - Chemical Product   MSDS Name:4-Vinylbenzyl acetate stabilized Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1592-12-7 4-Vinylbenzyl acetate unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
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. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Store in a dry area. 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# 1592-12-7: 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: Clear liquid
Color: slightly yellow
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: > 93 deg C (> 199.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H12O2
Molecular Weight: 176.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1592-12-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Vinylbenzyl acetate - 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
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.
WGK (Water Danger/Protection)
CAS# 1592-12-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1592-12-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1592-12-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2915390090

概述:
2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

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:0

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:13

8.表面电荷:0

9.复杂度:179

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

上下游相关产品

上游产品

更多
  • 1592-20-7

    4-氯甲基苯乙烯

  • 127-09-3

    无水醋酸钠

  • 256449-39-5

    N/A

  • 127-08-2

    乙酸钾

下游产品

更多
  • 54549-74-5

    (4-formylphenyl)methyl acetate

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