3-butylheptanoic acid

Modify Date: 2025-09-23 17:42:47

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
InChIKey BCZCVRWRZMKPSR-UHFFFAOYSA-N
SMILES CCCCC(CCCC)CC(=O)O

 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
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