2-Butylhexanoic Acid 2-丁基己酸

CAS 3115-28-4 MFCD01723365

化学结构图

3115-28-4
SMILES: CCCCC(CCCC)C(=O)O

化学属性

Mol. FormulaC10H20O2
Mol. Weight172.26

别名和识别编码

Chemical Name2-Butylhexanoic Acid
Synonym 2-Butylhexanoic acid {LY} 2-Butylhexanoic acid {} {LY} 2-Butylhexanoic acid {} {} {LY} 2-Butylhexanoic acid {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Butylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {
InChIKeyKQYRYPXQPKPVSP-UHFFFAOYSA-N
CAS Number3115-28-4
Beilstein Registry Number1758237
PubChem Substance ID18379
InChIInChI=1S/C10H20O2/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3,(H,11,12)
LabNetwork Molecule IDLN04621410
Chemical Name Translation2-丁基己酸
Canonical SMILESCCCCC(CCCC)C(O)=O
MDL NumberMFCD01723365
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分类

  • {uni_hamburg} no charge; carboxylic acid; 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

RTECSMO6880000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 340 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   NEPHBW Neuropharmacology.  (Pergamon Press Ltd., Headington Hill Hall,
   Oxford OX3 OBW, UK) V.9-    1970-  Volume(issue)/page/year: 24,427,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 170 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   NEPHBW Neuropharmacology.  (Pergamon Press Ltd., Headington Hill Hall,
   Oxford OX3 OBW, UK) V.9-    1970-  Volume(issue)/page/year: 24,427,1985

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系列性分类

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