34068-01-4 (3-苄氧基苯乙酮,3-Benzyloxyacetophenone)

CAS号:
34068-01-4
中文名称:
3-苄氧基苯乙酮
英文名称:
3-Benzyloxyacetophenone
分子式:
C15H14O2
分子量:
226.270464420319

3-苄氧基苯乙酮(34068-01-4)名称与标识符

名称

中文别名:
3-苄氧基苯乙酮;3'-苯甲氧基苯乙酮;3''-苯甲氧基苯乙酮;3 -苯甲氧基苯乙酮;3'-Benzyloxyacetophenone 3'-苯甲氧基苯乙酮;3'-苄氧基苯乙酮;3'-苯甲氧基乙酰苯;
英文别名:
1-(3-(Benzyloxy)phenyl)ethanone;3-Benzyloxyacetophenone;3'-Benzyloxyacetophenone;1-(3-Benzyloxyphenyl)ethanone;1-(3-phenylmethoxyphenyl)ethanone;Ethanone, 1-[3-(phenylmethoxy)phenyl]-;3′-Benzyloxyacetophenone;m-benzyloxyacetophenone;3'-Benzyloxy acetophenone;1-[3-(benzyloxy)phenyl]ethanone;1-(3-(Phenylmethoxy)phenyl)ethan-1-one;1-[3-(benzyloxy)phenyl]ethan-1-one;1-[3-(phenylmethoxy)phenyl]ethan-1-one;Ethanone, 1-(3-(phenylmethoxy)phenyl)-;1-acetyl-3-(phenylmethoxy)benzene;3'-(Benzyloxy)acetophenone;NSC159118;3'benzyloxyacetophen;AMY32513;Y10312;DTXSID40187667;FGQMEAWGAUALJQ-UHFFFAOYSA-N;34068-01-4;3 inverted exclamation mark -(Benzyloxy)acetophenone;InChI=1/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3;SCHEMBL68983;DS-1896;MFCD00026221;AKOS000201993;EINECS 251-816-0;3-Benzyloxy acetophenone;3'benzyloxyacetophenone;CS-W014208;B4705;CHEMBL3770608;SY028458;NS00029608;FGQMEAWGAUALJQ-UHFFFAOYSA-;NSC-159118;Z26030924;3-(benzyloxy)acetophenone;FT-0639154;NSC 159118;EN300-37469;AI3-25499;DB-022287;

标识符

MDL:
MFCD00026221
InChIKey:
FGQMEAWGAUALJQ-UHFFFAOYSA-N
Inchi:
1S/C15H14O2/c1-12(16)14-8-5-9-15(10-14)17-11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
SMILES:
O(C1=CC=CC(C(C)=O)=C1)CC1C=CC=CC=1

3-苄氧基苯乙酮(34068-01-4)物化性质

实验特性

  • LogP : 3.46820
  • PSA : 26.30000
  • 折射率 : 1.6530 (estimate)
  • 沸点 : 154°C/0.3mmHg(lit.)
  • 熔点 : No data available
  • 闪点 : 155.9±14.5 °C
  • 溶解度 : Soluble in Chloroform, Dichloromethane and Methanol
  • 颜色与性状 : 纯净的液体
  • 溶解性 : 未确定
  • 最大波长(λmax) : 305(MeOH)(lit.)
  • 密度 : 1.0891 (rough estimate)

计算特性

  • 精确分子量 : 226.09900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 4
  • 同位素质量 : 226.099
  • 重原子数量 : 17
  • 复杂度 : 243
  • 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) : 3.5
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26.3

3-苄氧基苯乙酮(34068-01-4)国际标准相关数据

EINECS:
251-816-0

3-苄氧基苯乙酮(34068-01-4)海关数据

海关编码:
2914509090
海关数据:

中国海关编码:

2914509090

概述:

2914509090 含其他含氧基的酮. 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, 丙酮报明包装

Summary:

HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3-苄氧基苯乙酮(34068-01-4)推荐厂家 更多厂家(55)

3-苄氧基苯乙酮(34068-01-4)上下游

3-苄氧基苯乙酮(34068-01-4)相关文献

3-苄氧基苯乙酮(34068-01-4)参考资料

Reaxys RN:
1966166
Beilstein:
MFCD00026221
PubChem CID:

3-苄氧基苯乙酮(34068-01-4) MSDS

基础信息

Name:3-Benzyloxyacetophenone 97% Material Safety Data Sheet
Synonym:None Known
CAS:34068-01-4
Section 1 - Chemical Product ? MSDS Name:3-Benzyloxyacetophenone 97% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
34068-01-43-Benzyloxyacetophenone97%251-816-0
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. 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: 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. 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# 34068-01-4: 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: light 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: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H14O2
Molecular Weight: 226.10

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not currently available.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 34068-01-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Benzyloxyacetophenone - 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# 34068-01-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 34068-01-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 34068-01-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A