(5R)-2-Isopropyl-5-Methylcyclohexyl Acetate (5R)-2-异丙基-5-甲基环己基乙酸酯

CAS 2623-23-6 MFCD00001482

化学结构图

2623-23-6
SMILES: CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C

化学属性

Mol. FormulaC12H22O2
Mol. Weight198.30
Density0.92 g/mL at 25 °C(lit.)
Boiling Point229-230 °C at 760 mmHg
Refractive index1.4450 to 1.4470
Flash Point98°C(lit.)
TSCAYes
Melting Point<25 °C

别名和识别编码

Chemical Name(5R)-2-Isopropyl-5-Methylcyclohexyl Acetate
Synonym Menthyl acetate {LY} Menthyl acetate {} {LY} Menthyl acetate {} {} {LY} Menthyl acetate {} {} {} {LY} Menthyl acetate {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Menthyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {}
MDL NumberMFCD00001482
CAS Number2623-23-6
PubChem Substance ID220674
Beilstein Registry Number6(4)153
EC Number220-076-0
Merck Number14,5839
Chemical Name Translation(5R)-2-异丙基-5-甲基环己基乙酸酯
InChIKeyXHXUANMFYXWVNG-UHFFFAOYSA-N
Reaxys-RN4782242
Wiswesser Line NotationL6TJ AY1&1 BOV1 D1 -L
LabNetwork Molecule IDLN01286365
InChIInChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
Canonical SMILESCC([C@H]1[C@H](OC(C)=O)C[C@H](C)CC1)C
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分类

  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, I-N, Kosher Certified Products, L-M, M-N
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Esters, Organic Building Blocks,

相关文献及参考

  • Short: EINECS
  • Short: III/38B
  • Short: IV/16
  • Short: IV/20B

安全信息

WGK Germany2
RTECSAI5900000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter 
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: 14,477,1976

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: 14,477,1976

Hazard statements
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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

  • MOL 文件:16409-45-3.mol

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Zingiber officinale (Ginger) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. N - Alphabetic
  5. NA - NI - N
  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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. MEA - MES - M
  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. Esters - Organic Building Blocks
  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. Esters - Organic Building Blocks
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Terpenes

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