3-Methyl-2-cyclohexen-1-one 3-甲基-2-环己烯-1-酮

CAS 1193-18-6 MFCD00001581

化学结构图

1193-18-6
SMILES: CC1=CC(=O)CCC1

化学属性

Mol. FormulaC7H10O
Mol. Weight110.15
Refractive index1.4920 to 1.4960
Boiling Point199-200 °C at 760 mmHg
Density0.971
Flash Point68°C(lit.)
TSCAYes
Solubility不溶
Melting Point-21 °C

别名和识别编码

Chemical Name3-Methyl-2-cyclohexen-1-one
CAS Number1193-18-6
PubChem Substance ID14511
EC Number214-769-7
Beilstein Registry Number1560601
MDL NumberMFCD00001581
Reaxys-RN1560601
Synonym 3-Methyl-2-cyclohexenone {LY} 3-Methyl-2-cyclohexenone {} {LY} 3-Methyl-2-cyclohexenone {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methyl-2-cyclohexenone {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation3-甲基-2-环己烯-1-酮
LabNetwork Molecule IDLN00221306
InChIInChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
Canonical SMILESCC(CCC1)=CC1=O
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, I-N, Kosher Certified Products, L-M, M-N
  • Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certified Products,

相关文献及参考

  • For photochemical (2 + 2) photocycloaddition reaction with ethylene, as a general method for synthesis of fused cyclobutane systems, se
  • Beilstein:7(4)130
  • Short: III/35E
  • For photochemical (2 + 2) photocycloaddition reaction with ethylene, as a general method for synthesis of fused cyclobutane systems, see: Org. Synth. Coll., 7, 315 (1990).
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
RTECSGW7340000
Signal word
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P330 Rinse mouth. 漱口
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 35,273,1987

其他信息

  • MSDS 信息:3-Methyl-2-cyclohexen-1-one(1193-18-6).msds
  • MOL 文件:1193-18-6.mol
  • 图谱信息:3-甲基-2-环己烯-1-酮(1193-18-6)质谱(MS) 3-甲基-2-环己烯-1-酮(1193-18-6)核磁图( 1 HNMR) 3-甲基-2-环己烯-1-酮(1193-18-6)核磁图( 13 CNMR) 3-甲基-2-环己烯-1-酮(1193-18-6)红外图谱(IR1)
  • 不溶于水。
  • 3-甲基-2-环己烯-1-酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1043 3-甲基-2-环己烯-1-酮 3-Methyl-2-cyclohexen-1-one 25G 825元 2010/06/21 126660010 3-甲基-2-环己烯-1-酮 3-Methyl-2-cyclohexen-1-one 98% 1 GR 156元 2010/06/21 126660100 3-甲基-2-环己烯-1-酮 3-Methyl-2-cyclohexen-1-one 98% 10 GR 789元
  • Sigma Aldrich:1193-18-6(sigmaaldrich)
  • Acros Organics:3-甲基-2-环已烯-1-酮 3-Methyl-2-cyclohexen-1-one, 98%(1193-18-6)
  • F:10
  • FEMA:3360
  • Alfa Aesar:3-甲基-2-环己烯-1-酮,98% 3-Methyl-2-cyclohexen-1-one, 98%(1193-18-6)
  • TCI Shanghai:3-甲基-2-环己烯-1-酮 3-Methyl-2-cyclohexen-1-one,>;98.0%(GC)(1193-18-6)

系列性分类


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