(3R,3As,6R,7R,8As)-3,6,8,8-Tetramethyloctahydro-1H-3A,7-Methanoazulen-6-Yl Acetate (3R,3aS,6R,7R,8aS)-3,6,8,8-四甲基八氢-1H-3a,7-甲桥薁-6-基乙酸酯

CAS 77-54-3 MFCD00077764

化学结构图

77-54-3
SMILES: CC(=O)O[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C

化学属性

Mol. FormulaC17H28O2
Mol. Weight264.40
Density0.999 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.499(lit.)
Boiling Point>;200 °C(lit.)
Melting Point44-46 °C

别名和识别编码

Chemical Name(3R,3As,6R,7R,8As)-3,6,8,8-Tetramethyloctahydro-1H-3A,7-Methanoazulen-6-Yl Acetate
MDL NumberMFCD00077764
CAS Number77-54-3
Synonym Cedryl acetate, 97% {LY} Cedryl acetate, 97% {} {LY} Cedryl acetate, 97% {} {} {LY} Cedryl acetate, 97% {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cedryl acetate, 97% {} {} {} {} {} {} {} {}
PubChem Substance ID24902090
Beilstein Registry Number2052432
EC Number201-036-1
Chemical Name Translation(3R,3aS,6R,7R,8aS)-3,6,8,8-四甲基八氢-1H-3a,7-甲桥薁-6-基乙酸酯
Wiswesser Line NotationL65 B5 A 1B K BXTJ EDV1 E1 G1 G1 K1
LabNetwork Molecule IDLN02127024
Canonical SMILESCC1(C)[C@]2([H])[C@](C)(OC(C)=O)CC[C@]3(C2)[C@H](C)CC[C@@]13[H]
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分类

  • {SNA} Alphabetical Listings, C-D, Essential Oils, Flavors and Fragrances
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules

产品应用

  • 酸类合成香料。

相关文献及参考

  • [1]. Sultan S, et al. Fungal transformation of cedryl acetate and α-glucosidase inhibition assay, quantum mechanical calculations and molecular docking studies of its metabolites. Eur J Med Chem. 2013 Apr;62:764-70.

安全信息

WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
RTECSFJ1680000
Signal word Warning
GHS Symbol
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi
Risk Statements
  • R38 Irritating to skin 刺激皮肤
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
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: 12,847,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 44750 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Skin and Appendages - hair
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

其他信息

  • 不溶于水。溶于醇和石油醚。具有温和的类似柏木的香气。

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. C-D - Alphabetical Listings
  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. Complex Molecules - Chiral Building Blocks
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. METI - MZ - M
  1. Medical Research Areas
  2. Metabolism
  3. Glucosidase  (葡萄糖苷酶)

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