3-butylheptanoic acid

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Names

[ CAS No. ]:
58888-90-7

[ Name ]:
3-butylheptanoic acid

[Synonym ]:
3-n-Butyl-heptansaeure
Heptanoic acid,3-butyl
Acide dibutylpropionique
3-Butylheptanoicacid
3-n-Butyl-heptancarbonsaeure

Chemical & Physical Properties

[ Density]:
0.908g/cm3

[ Boiling Point ]:
289.3ºC at 760 mmHg

[ Molecular Formula ]:
C11H22O2

[ Molecular Weight ]:
186.29100

[ Flash Point ]:
154.2ºC

[ Exact Mass ]:
186.16200

[ PSA ]:
37.30000

[ LogP ]:
3.45770

[ Index of Refraction ]:
1.444

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ1931000
CHEMICAL NAME :
Heptanoic acid, 3-butyl-
CAS REGISTRY NUMBER :
58888-90-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H22-O2
MOLECULAR WEIGHT :
186.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published 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

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 2-amino-3-butylheptanoic acid
  • 3-dodecanoyltetradecanoic acid
  • β-Chlorolactic acid
  • 3-methoxybutanoic acid
  • 3-THIOPHENEBUTANOIC ACID
  • 3-Pyridinecarboxylic acid, 6-(1-hydroxyethyl)- (9CI)
  • 4-Benzyl-5-(4-(pyridin-2-yl)piperazine-1-carbonyl)morpholin-3-one
  • 1-benzyl-1H-1,2,3-triazol-4-amine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine