3,7-Dimethylocta-2,6-Dienoic Acid 3,7-二甲基辛-2,6-二烯酸

CAS 459-80-3 MFCD00036493

化学结构图

459-80-3
SMILES: CC(C)=CCC/C(C)=C/C(=O)O

化学属性

Mol. FormulaC10H16O2
Mol. Weight168.23
Refractive indexn20/D 1.484(lit.)
Boiling Point250 °C at 760 mmHg
Density0.97 g/mL at 25 °C(lit.)
Flash Point133°(271°F)
TSCAYes
Melting Point185-186 °C

别名和识别编码

Chemical Name3,7-Dimethylocta-2,6-Dienoic Acid
Synonym 3,7-Dimethylocta-2,6-dienoic acid {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethylocta-2,6-dienoic acid {
CAS Number459-80-3
PubChem Substance ID5275520
EC Number207-299-9
Beilstein Registry Number1763804
MDL NumberMFCD00036493
Chemical Name Translation3,7-二甲基辛-2,6-二烯酸
Wiswesser Line NotationQV1UY1&3UY1&1
InChIInChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
Canonical SMILESC/C(C)=C/CC/C(C)=C/C(O)=O
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分类

  • {SNA} Alphabetical Listings, E-H, Flavors and Fragrances, G-H, Kosher Certified Products
  • Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Natural occurrence: tea, tomato, wine.1
  • {SA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 2 ,III,1460
  • FT-IR 2 (1), 785:D / Structure Index 1 , 78:A:4

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xn,Xi
RTECSRG5380000
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。
Signal word Warning
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • R21 Harmful in contact with skin 与皮肤接触有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3700 mg/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: 17,785,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   BIJOAK Biochemical Journal.  (Biochemical Soc. Book Depot, POB 32, Commerce
   Way, Colchester, Essex CO2 8HP, UK)  V.1-    1906- Volume(issue)/page/year:
   34,1196,1940

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1750 mg/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: 17,785,1979

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 垅牛儿酸 价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A18750 香叶酸 Geranic acid 25g 605元 2010/05/25 A18750 香叶酸 Geranic acid 100g 1722元
  • FEMA:4121
  • MOL 文件:459-80-3.mol
  • Hazard Note:Irritant
  • Sigma Aldrich:459-80-3(sigmaaldrich)
  • F:10
  • 上游原料:氢氧化钠 --> 乙酸乙酯 --> 乙醚 --> 溴乙酸乙酯 --> 亚磷酸三乙酯 --> 甲基庚烯酮
  • Alfa Aesar:香叶酸 Geranic acid(459-80-3)

系列性分类


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