3-butylheptanoic acid

Modify Date: 2024-01-13 20:40:43

3-butylheptanoic acid Structure
3-butylheptanoic acid structure
Common Name 3-butylheptanoic acid
CAS Number 58888-90-7 Molecular Weight 186.29100
Density 0.908g/cm3 Boiling Point 289.3ºC at 760 mmHg
Molecular Formula C11H22O2 Melting Point N/A
MSDS N/A Flash Point 154.2ºC

 Names

Name 3-butylheptanoic acid
Synonym More Synonyms

 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

~88%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Cooke, Manning P. Journal of Organic Chemistry, 1986 , vol. 51, # 9 p. 1637 - 1638

~%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Malthete, Jacques; Canceill, Josette; Gabard, Jacqueline; Jacques, Jean Tetrahedron, 1981 , vol. 37, # 16 p. 2823 - 2828

~%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Malthete, Jacques; Canceill, Josette; Gabard, Jacqueline; Jacques, Jean Tetrahedron, 1981 , vol. 37, # 16 p. 2823 - 2828

~%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Cooke, Manning P. Journal of Organic Chemistry, 1986 , vol. 51, # 9 p. 1637 - 1638

~%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Malthete, Jacques; Canceill, Josette; Gabard, Jacqueline; Jacques, Jean Tetrahedron, 1981 , vol. 37, # 16 p. 2823 - 2828

~%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Cooke, Manning P. Journal of Organic Chemistry, 1987 , vol. 52, # 26 p. 5729 - 5733

~%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Cooke, Manning P. Journal of Organic Chemistry, 1987 , vol. 52, # 26 p. 5729 - 5733

~%

3-butylheptanoic acid Structure

3-butylheptanoi...

CAS#:58888-90-7

Literature: Taillandier; Benoit Guyod; Boucherle; et al. European Journal of Medicinal Chemistry, 1975 , vol. 10, # 5 p. 453 - 462

 Synonyms

3-n-Butyl-heptansaeure
Heptanoic acid,3-butyl
Acide dibutylpropionique
3-Butylheptanoicacid
3-n-Butyl-heptancarbonsaeure