2-Methyl-5-(Prop-1-En-2-yl)Cyclohexan-1-One 2-甲基-5-(1-甲基乙烯基)环己酮

CAS 7764-50-3 MFCD00001636

化学结构图

7764-50-3
SMILES: C=C(C)C1CCC(C)C(=O)C1

化学属性

Mol. FormulaC10H16O
Mol. Weight152.23
Refractive indexn20/D 1.471(lit.)
Boiling Point87-88 °C at 6 mmHg
Density0.929 g/mL at 25 °C(lit.)
Vapor Density5.2 (vs air)
Vapor Pressure0.06 mmHg ( 20 °C)

别名和识别编码

Chemical Name2-Methyl-5-(Prop-1-En-2-yl)Cyclohexan-1-One
Synonym 1,6-Dihydrocarvone {LY} 1,6-Dihydrocarvone {} {LY} 1,6-Dihydrocarvone {} {} {LY} 1,6-Dihydrocarvone {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,6-Dihydrocarvone
MDL NumberMFCD00001636
CAS Number7764-50-3
PubChem Substance ID24473
EC Number231-857-0
Beilstein Registry Number2044615
Chemical Name Translation2-甲基-5-(1-甲基乙烯基)环己酮
Wiswesser Line NotationL6VTJ B1 EY1&U1
LabNetwork Molecule IDLN00238157
InChIInChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3
Canonical SMILESO=C1C(C)CCC(C(C)=C)C1
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分类

  • {uni_hamburg} no charge; carbocycle; 6RingOnly; 6ring; ketone; chiral; 1fragment
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Ketones, Organic Building Blocks
  • {SNA} A-D, Alphabetical Listings, C-D, Certified Food Grade Products, F&F Ingredients in Drum Quantities (25-200 kg), Flavors and Fragrances, Kosher Certified Products
  • {SNA} A-D,

相关文献及参考

  • Beilstein: 7,III,337
  • Short: IV/20B

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Gloves Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSOT0305000
Precautionary statements
  • P337+P313
  • P304+P340+P312
  • 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。
  • P305+P351+P338
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
Signal word Warning
Safety Statements
  • 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；
  • S36/37/39 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；
Hazard Codes Xi
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 18,665,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2900 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
   Behavioral - sleep
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 46,77,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 18,665,1980

Storage condition

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  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. Alphabetical - Phytopharma Standards
  7. A - D - Alphabetical
  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

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