Cyclohex-3-enecarboxylic acid 3-环己烯-1-甲酸

CAS 4771-80-6 MFCD00013781

化学结构图

4771-80-6
SMILES: O=C(O)C1CC=CCC1

化学属性

Mol. FormulaC7H10O2
Mol. Weight126.16
Refractive index1.4790 to 1.4830
Boiling Point241.7°C at 760 mmHg
Density1.081
Melting Point17°C
Flash Point110°C
SolubilityV sol
TSCAYes

别名和识别编码

Chemical NameCyclohex-3-enecarboxylic acid
CAS Number4771-80-6
Alfabeta NameCYCLOHEXENECARBOXYLICACID 3--
MDL NumberMFCD00013781
Synonym Cyclohex-3-enecarboxylic acid {LY} Cyclohex-3-enecarboxylic acid {} {LY} Cyclohex-3-enecarboxylic acid {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohex-3-enecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID20903
EC Number225-314-7
Beilstein Registry Number1617723
Chemical Name Translation3-环己烯-1-甲酸
Reaxys-RN1617723
InChIKeyVUSWCWPCANWBFG-UHFFFAOYSA-N
Wiswesser Line NotationL6UTJ DVQ
LabNetwork Molecule IDLN00123014
InChIInChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
Canonical SMILESOC(=O)C1CCC=CC1
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beilstein:9(3)148
  • For Pd catalyzed lactonization in the presence of oxygen, giving a mixture of [3.2.1] and [2.2.2] bicyclic unsaturated lactones, see: J. Org. Chem., 60, 5298 (1995).
  • Bromolactonization occurs with TMS bromide in the presence of N-ethyldiisopropylamine in DMSO to give a bridged bicyclic lactone: Heterocycles, 31, 987 (1990):

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H312 Harmful in contact with skin 皮肤接触有害
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGW3675000
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P303+P361+P353+P310+P363
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P301+P330+P331
  • P405 Store locked up. 上锁保管。
  • P303+P361+P353
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P305+P351+P338
Signal word
Packing GroupIII
UN Number UN3265 UN 3265 8/PG 2
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R21 Harmful in contact with skin 与皮肤接触有害
Safety Statements
Hazard Codes C C,Xi
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4260 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:4771-80-6(sigmaaldrich)
  • Acros Organics:3-环已烯-1-羧酸 3-Cyclohexenecarboxylic acid, 97%(4771-80-6)
  • TCI Shanghai:3-环己烯-1-甲酸 3-Cyclohexene-1-carboxylic Acid,>;98.0%(GC)(T)(4771-80-6)
  • MOL 文件:4771-80-6.mol
  • Alfa Aesar:3-环己烯-1-羧酸,98% 3-Cyclohexene-1-carboxylic acid, 98%(4771-80-6)
  • 存储注意事项:氮气保护
  • MSDS 信息:3-Cyclohexenecarboxylic acid(4771-80-6).msds
  • 3-环己烯-1-甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0652 3-环己烯-1-甲酸 3-Cyclohexene-1-carboxylic Acid 500G 7420元 2014/06/02 C0652 3-环己烯-1-甲酸 3-Cyclohexene-1-carboxylic Acid 25G 857元 2010/06/21 294390100 3-环己烯-1-甲酸 3-Cyclohexenecarboxylic acid 97% 10 GR 7087元
  • 图谱信息:3-环己烯-1-甲酸(4771-80-6)质谱(MS) 3-环己烯-1-甲酸(4771-80-6)红外图谱(IR1) 3-环己烯-1-甲酸(4771-80-6)Raman光谱 3-环己烯-1-甲酸(4771-80-6)核磁图( 1 HNMR)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C6

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