3-Methylhexanoic acid 3-甲基己酸

CAS 3780-58-3 MFCD00870847

化学结构图

3780-58-3
SMILES: CCCC(C)CC(=O)O

化学属性

Mol. FormulaC7H14O2
Mol. Weight130.18

别名和识别编码

Chemical Name3-Methylhexanoicacid
Synonym 3-Methylhexanoicacid {LY} 3-Methylhexanoicacid {} {LY} 3-Methylhexanoicacid {} {} {LY} 3-Methylhexanoicacid {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoicacid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylhexanoica
InChIKeyNZQMQVJXSRMTCJ-UHFFFAOYSA-N
CAS Number3780-58-3
Beilstein Registry Number1721252
LabNetwork Molecule IDLN04676528
PubChem Substance ID95315
InChIInChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
Chemical Name Translation3-甲基己酸
MDL NumberMFCD00870847
Canonical SMILESCCCC(C)CC(O)=O
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分类

  • {uni_hamburg} no charge; carboxylic acid; racemate; 1fragment

相关文献及参考

  • Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong, X.; Dong, Q.; Yan, X.; Chirico, R.D. Editor: Frenkel, M.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8I Year: 2002 Keyword: Thermodynamics; Thermodynamik ISBN: 978-3-540-42883-1 ISBN: 3-540-42883-6 Internet Resource: DOI:10.1007/b76771 RefComment: XI, 470 p., Hardcover RefComment: Written for Scientists and engineers in the fields of Physics, Chemistry and Physical Chemistry Abstract: Critically evaluated experimental data covering the densities of organic compounds are essential for both scientific and industrial applications. Knowledge of densities is important in many areas, including custody transfer of materials, product specification, development of various predictive methods, and for characterizing compounds and estimating their purity.

安全信息

RTECSMO8400750 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 10,453,1975

Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H318 Causes serious eye damage 严重伤害眼睛
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P301+P330+P331
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P317
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类

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