(1S,4R)-1,3,3-Trimethylbicyclo[2.2.1]Heptan-2-One (1S,4R)-1,3,3-三甲基二环[2.2.1]庚-2-酮

CAS 4695-62-9 MFCD00070689

化学结构图

4695-62-9
SMILES: CC12CCC(C1)C(C)(C)C2=O

化学属性

Mol. FormulaC10H16O
Mol. Weight152.23
Density0.945 g/mL at 20 °C(lit.)
Boiling Point192-194 °C at 760 mmHg
Melting Point5-6 °C
Refractive index1.4610 to 1.4650
Flash Point63°C(lit.)
TSCAYes

别名和识别编码

Chemical Name(1S,4R)-1,3,3-Trimethylbicyclo[2.2.1]Heptan-2-One
Synonym (+)-Fenchone {LY} (+)-Fenchone {} {LY} (+)-Fenchone {} {} {LY} (+)-Fenchone {} {} {} {LY} (+)-Fenchone {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (+)-Fenchone
MDL NumberMFCD00070689
Beilstein Registry Number7(4)392
CAS Number4695-62-9
EC Number225-160-0
PubChem Substance ID87569950
Merck Number3968
Chemical Name Translation(1S,4R)-1,3,3-三甲基二环[2.2.1]庚-2-酮
Reaxys-RN4661423
LabNetwork Molecule IDLN00849009
InChIInChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
Canonical SMILESCC([C@@H](C1)CC[C@@]12C)(C2=O)C
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分类

  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Ketones, Organic Building Blocks
  • {SNA} A-F, A-L, Additional Standards, Alphabetical Index of Phytochemical Standards, Analytical Standards, Anise, Chemical Class, Chromatography,

相关文献及参考

  • Merck 14 ,3968
  • Beil. 7 ,IV,212

安全信息

RTECSRB7875200
WGK Germany2
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupIII
UN Number UN1224
Risk Statements
  • R10 Flammable 易燃
Signal word
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。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
GHS Symbol
Safety Statements 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6160 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. F - Alphabetic
  5. FA - FL - F
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Natural Compounds - Life Sciences Standards
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Ketones - Organic Building Blocks
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Phytopharma Standards - Life Sciences Standards
  6. Phytopharma Primary Standards - Phytopharma Standards

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