Hexanoic acid, 2-butyl-

Modify Date: 2025-08-25 13:15:11

Hexanoic acid, 2-butyl- Structure
Hexanoic acid, 2-butyl- structure
Common Name Hexanoic acid, 2-butyl-
CAS Number 3115-28-4 Molecular Weight 172.26500
Density 0.913g/cm3 Boiling Point 271.6ºC at 760mmHg
Molecular Formula C10H20O2 Melting Point N/A
MSDS N/A Flash Point 142.3ºC

 Names

Name 2-butylhexanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.913g/cm3
Boiling Point 271.6ºC at 760mmHg
Molecular Formula C10H20O2
Molecular Weight 172.26500
Flash Point 142.3ºC
Exact Mass 172.14600
PSA 37.30000
LogP 3.06760
Index of Refraction 1.441
InChIKey KQYRYPXQPKPVSP-UHFFFAOYSA-N
SMILES CCCCC(CCCC)C(=O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO6880000
CHEMICAL NAME :
Hexanoic acid, 2-butyl-
CAS REGISTRY NUMBER :
3115-28-4
BEILSTEIN REFERENCE NO. :
1758237
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H20-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

 Safety Information

Hazard Codes Xi
HS Code 2915900090

 Synthetic Route

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Detail
Literature: Moeller,K.E. Angewandte Chemie, 1963 , vol. 75, p. 1098 - 1101

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Hexanoic acid, 2-butyl- Structure

Hexanoic acid, ...

CAS#:3115-28-4

Literature: Whitmore; Crooks Journal of the American Chemical Society, 1938 , vol. 60, p. 2078

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Hexanoic acid, 2-butyl- Structure

Hexanoic acid, ...

CAS#:3115-28-4

Literature: Billon Annales de Chimie (Cachan, France), 1927 , vol. <10>7, p. 362 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1924 , vol. 179, p. 1055

~%

Hexanoic acid, 2-butyl- Structure

Hexanoic acid, ...

CAS#:3115-28-4

Literature: Lyashchuk, S. N.; Skrypnik, Yu. G. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 1.1 p. 10 - 17 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 1 p. 12 - 18

~%

Hexanoic acid, 2-butyl- Structure

Hexanoic acid, ...

CAS#:3115-28-4

Literature: Franzen Chemische Berichte, 1954 , vol. 87, p. 1219,1223

~%

Hexanoic acid, 2-butyl- Structure

Hexanoic acid, ...

CAS#:3115-28-4

Literature: Pfeffer,P.E. et al. Journal of Organic Chemistry, 1972 , vol. 37, p. 451 - 458

 Customs

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Synonyms

2-Butyl-hexansaeure
2-Butyl-capronsaeure
2,2-Dibutylacetic acid
Dibutylacetic acid
HEXANOIC ACID,2-BUTYL
2-Butyl hexanoate
Dibutylessigsaeure
2-butyl-hexanoic acid
Di-n-butylacetic acid
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