Tocopheryl acetate 生育酚乙酸酯

CAS 7695-91-2 MFCD00072042

化学结构图

7695-91-2
SMILES: CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2

化学属性

Mol. FormulaC31H52O3
Mol. Weight472.74
Density0.96
Refractive index1.4940 to 1.4990
Flash Point210°(410°F)
TSCAYes
Boiling Point224 °C at 0.3 mmHg
Melting Point-28 °C

别名和识别编码

Chemical NameTocopheryl acetate
MDL NumberMFCD00072042
CAS Number7695-91-2
Synonym (±)-α-Tocopherol acetate {LY} (±)-α-Tocopherol acetate {} {LY} (±)-α-Tocopherol acetate {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (±)-α-Tocopherol acetate {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID86472
Beilstein Registry Number97512
EC Number231-710-0
Merck Number14,9495
Chemical Name Translation生育酚乙酸酯
Reaxys-RN97512
InChIKeyZAKOWWREFLAJOT-CEFNRUSXSA-N
Wiswesser Line NotationT66 BOT&J C3Y1&3Y1&3Y1&1 C1 G1 HOV1 I1 J1
LabNetwork Molecule IDLN00221345
InChIInChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
Canonical SMILESCC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1
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分类

  • {SNA} Aloe Vera, Linum usitatissimum (Flax), Phytochemicals by Plant (Food/Spice/Herb), Prenols, Vitamin E, Vitamins, 生化试剂,
  • {SNA} Aloe Vera, Linum usitatissimum (Flax), Phytochemicals by Plant (Food/Spice/Herb), Prenols, Vitamin E, Vitamins, 生化试剂, 细胞生物学, 脂类,
  • {SNA} Asymmetric Synthe
  • {SA} Asymmetric Synthesis, Biochemicals and Reagents, Chemical Synthesis, Chiral Building Blocks, Complex Molecules,
  • {SNA} Analytical Standards, EP Standards, EP Standards A - B, Pharmacopeia & Metrological Institutes Standards, 分析/色谱
  • {SNA} Aloe Vera,
  • {SNA} Aloe Vera,

安全信息

WGK Germany1
Personal Protective Equipment Eyeshields, Gloves
RTECSGA8747000
Storage condition 2-8°C {LY} 2-8°C Air & Light Sensitive Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
GHS Symbol
Safety Statements
Precautionary statements 
TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 2500 ug/kg
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   25,163,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 mg/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   AJANA2 American Journal of Anatomy.  (Alan R. Liss, Inc., 41 E. 11th St.,
   New York, NY 10003) V.1-192, 1901-91.  Volume(issue)/page/year: 110,29,1962

系列性分类

  1. Application Areas 应用领域分类
  2. Drug Discovery 新药研发
  3. Pharmacopoeia 药典
  4. Pharmacopoeia A-Z - Pharmacopoeia
  1. Research Essentials 基础科研
  2. Core Bioreagents - Research Essentials
  3. Vitamins and Coenzymes - Core Bioreagents
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Aloe Vera - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. V - Alphabetic
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Prenols - Lipids
  5. Vitamin E - Prenols
  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. 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. Esters - Carbonyl Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. Pharmaceutical Secondary Standards - Pharmaceutical Standards
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. T - Alphabetic
  5. TF - TO - T

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