(S)-(-)-3,7-Dimethyl-6-Octenal (-)-香茅醛

CAS 5949-05-3 MFCD00075588

化学结构图

5949-05-3
SMILES: CC(C)=CCC[C@H](C)CC=O

化学属性

Mol. FormulaC10H18O
Mol. Weight154.25
Refractive index1.4450 to 1.4480
Density0.851 g/mL at 25 °C(lit.)
Flash Point75°C(lit.)

别名和识别编码

Chemical Name(S)-(-)-3,7-Dimethyl-6-Octenal
Synonym (S)​-​(-​)​-​Citronellal {Chemicalbook} (+)-香茅醛 (-)-CITRONELLAL (-)-CITRONELLAL WITH GC (-)-Citrnellal (-)-Citronellal {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} L(-)-Citronellal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} Citrnellal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} CITRONELLAL, (-)- {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} CITRONELLAL(L-) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number5949-05-3
PubChem Substance ID443157
EC Number227-707-9
Beilstein Registry Number1(4)3515
MDL NumberMFCD00075588
Reaxys-RN4654383
Chemical Name Translation(-)-香茅醛
InChIKeyNEHNMFOYXAPHSD-UHFFFAOYSA-N
LabNetwork Molecule IDLN00239878
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
Canonical SMILESC/C(C)=C\CC[C@H](C)CC=O
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分类

  • {SNA} Aldehydes,
  • Aldehydes, Asymmetric Synthesis, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Chiral Building Blocks, Citrus aurantium (Seville orange), Elettaria Cardamomum (Cardamom), Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Zingiber officinale (Ginger)
  • {SNA} Aldehydes, Asymmetric Synthesis, Building Blocks, C10-C12, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Chiral Building Blocks, Citrus aurantium (Seville orange), Elettaria Cardamomum (Cardamom), Nutrition Research,
  • {SNA} Aldehydes,

相关文献及参考

  • [2]. Bruce L. Jensen, et al. Cyclization of the Monoterpene Citronellal to Isopulegol: A Biomimetic Natural Product Synthesis. J. Chem. Educ.200077111474.
  • Beil. 1 ,IV,3515
  • FT-NMR 1 (1), 738:C / RegBook 1 (1), 517:J / Structure Index 1 , 74:A:2
  • [1]. Altshuler O, et al. Enantioselective effects of (+)- and (-)-citronellal on animal and plant microtubules. J Nat Prod. 2013 Sep 27;76(9):1598-604.
  • [1]. Altshuler O, et al. Enantioselective effects of (+)- and (-)-citronellal on animal and plant microtubules. J Nat Prod. 2013 Sep 27;76(9):1598-604.
  • [2]. Bruce L. Jensen, et al. Cyclization of the Monoterpene Citronellal to Isopulegol: A Biomimetic Natural Product Synthesis. J. Chem. Educ.200077111474.

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xi
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
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P370+P378
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P403+P235
Signal word Warning {} {} {} {TCI}
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 Wear suitable protective clothing 穿戴适当的防护服；
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
Storage condition 2-8°C {LY} +4°C

其他信息

  • MOL 文件:5949-05-3.mol
  • (-)-香茅醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1454 (-)-香茅醛 (-)-Citronellal 25ML 1340元
  • Sigma Aldrich:5949-05-3(sigmaaldrich)
  • TCI Shanghai:(-)-香茅醛 (-)-Citronellal,>;96.0%(GC)(5949-05-3)
  • F:10-23

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. Aldehydes - Carbonyl Compounds
  6. C10-C12 - Aldehydes
  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. Aldehydes - Organic Building Blocks
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Terpenes
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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