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环丁烷羧酸甲酯 | 765-85-5

环丁烷羧酸甲酯
Methyl cyclobutanecarboxylate
765-85-5
C6H10O2
114.1424
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:环丁烷羧酸甲酯结构式
环丁烷羧酸甲酯MOL
136594
名称和标识符
MDL MFCD00095142
InChIKey CBTGNLZUIZHUHY-UHFFFAOYSA-N
Inchi 1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3
SMILES O(C([H])([H])[H])C(C1([H])C([H])([H])C([H])([H])C1([H])[H])=O
别名信息
- 中文别名 -
  • 环丁基甲酸甲酯
  • 环丁烷羧酸甲酯
- 英文别名 -
  • Cyclobutanecarboxylicacid, methyl ester
  • Methyl Cyclobutanecarboxylate
  • Cyclobutanecarboxylic Acid Methyl Ester
  • Methyl cyclobutanecarboxylate, 98%
  • Cyclobutanecarboxylic acid, methyl ester
  • PubChem23839
  • methyl cyclobutane carboxylate
  • CBTGNLZUIZHUHY-UHFFFAOYSA-N
  • WT580
  • Cyclobutanecarboxylicacid,methylester
  • SBB071501
  • TD1247
  • 9430AE
  • TRA0001022
  • cyclobutane carboxyl
  • methyl cyclobutanecarboxylate
  • 765-85-5
  • AM20070621
  • BB 0257985
  • AKOS005175027
  • M2884
  • Z18374544
  • SCHEMBL18408
  • A865454
  • EN300-127502
  • ?Methyl cyclobutanecarboxylate
  • AS-54705
  • SY083834
  • DTXSID60227312
  • Cyclobutanecarboxylic acid methyl ester
  • cyclobutane carboxylic acid methyl ester
  • MFCD00095142
  • FT-0624152
物化性质
实验特性
LogP 0.95950
PSA 26.30000
折射率 1.428-1.43
沸点 135°C(lit.)
闪点 30.1°C
颜色与性状 无色透明液体
溶解性 未确定
密度 1.0353 (rough estimate)
计算特性
精确分子量 114.06800
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 2
同位素质量 114.068
重原子数量 8
复杂度 94.7
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) 1.1
互变异构体数量
表面电荷 0
拓扑分子极性表面积 26.3
海关数据
海关编码 2916209090
海关数据

中国海关编码:

2916209090

概述:

2916209090 其他(环烷、环烯、环萜烯)一元羧酸(包括酸酐、酰卤化物,过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

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

Summary:

2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

相关文献
  • 1. 364. Physical properties and chemical constitution. Part XVIII. Three-membered and four-membered carbon rings
    George H. Jeffery,Arthur I. Vogel J. Chem. Soc. 1948 1804
  • 2. 51. The thermal isomerization of 1-cyclopropyl-2-methylpropene
    C. S. Elliott,H. M. Frey J. Chem. Soc. 1965 345
  • 3. 98. Physical properties and chemical constitution. Part XXIV. Aliphatic aldoximes, ketoximes, and ketoxime O-alkyl ethers, NN-dialkylhydrazines, aliphatic ketazines, mono- and di-alkylaminopropionitriles, alkoxypropionitriles, dialkyl azodiformates, and dialkyl carbonates. Bond parachors, bond refractions, and bondrefraction coefficients
    Arthur I. Vogel,William T. Cresswell,George H. Jeffery,James Leicester J. Chem. Soc. 1952 514
  • 4. 816. The oxidation of diphenylmethylenecyclobutane
    S. H. Graham,A. J. S. Williams J. Chem. Soc. 1959 4066
  • 5. The kinetics and mechanism of ring opening of radicals containing the cyclobutylcarbinyl system
    Athelstan L. J. Beckwith,Graeme Moad J. Chem. Soc. Perkin Trans. 2 1980 1083
  • 6. Mechanism of esterification of 1,3-dimethylamino alcohols by N-acetylimidazole in acetonitrile and the influence of alkyl and geminal dialkyl substitution upon the rate
    Annemieke Madder,Sonny Sebastian,Dirk Van Haver,Pierre J. De Clercq,Howard Maskill J. Chem. Soc. Perkin Trans. 2 1997 2787
专业数据库参考
PubChemId 136594
参考资料
Reaxys RN 2039750
环丁烷羧酸甲酯 MSDS
基础信息
Name: Methyl cyclobutanecarboxylate 98% Material Safety Data Sheet
Synonym: None Known
CAS: 765-85-5
Section 1 - Chemical Product ? MSDS Name:Methyl cyclobutanecarboxylate 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
765-85-5 Methyl cyclobutanecarboxylate 98% unlisted
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: 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:
If inhaled, remove to fresh air. 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:
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# 765-85-5: 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: Clear liquid
Color: colorless
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: C6H10O2
Molecular Weight: 114.14

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not currently available.
Conditions to Avoid:
Excess heat.
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# 765-85-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl cyclobutanecarboxylate - 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# 765-85-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 765-85-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 765-85-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
化合物详情(旧版)

SMILES

COC(=O)C1CCC1

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