Introduction：Basic information about CAS 3115-28-4|Hexanoic acid, 2-butyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| 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 | / |
|---|
| MSDS | / | 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 DATAACUTE 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 |
|---|
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 |
