Introduction:Basic information about CAS 94-04-2|Hexanoic acid,2-ethyl-, ethenyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Hexanoic acid,2-ethyl-, ethenyl ester |
|---|
| CAS Number | 94-04-2 | Molecular Weight | 170.24900 |
|---|
| Density | 0.87 g/cm3 | Boiling Point | 86ºC 30mm |
|---|
| Molecular Formula | C10H18O2 | Melting Point | -90ºC(lit.) |
|---|
| MSDS | / | Flash Point | 65ºC |
|---|
Names
| Name | 2-Ethylhexanoic Acid Vinyl Ester |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.87 g/cm3 |
|---|
| Boiling Point | 86ºC 30mm |
|---|
| Melting Point | -90ºC(lit.) |
|---|
| Molecular Formula | C10H18O2 |
|---|
| Molecular Weight | 170.24900 |
|---|
| Flash Point | 65ºC |
|---|
| Exact Mass | 170.13100 |
|---|
| PSA | 26.30000 |
|---|
| LogP | 2.88950 |
|---|
| Index of Refraction | n20/D 1.426(lit.) |
|---|
| InChIKey | IGBZOHMCHDADGY-UHFFFAOYSA-N |
|---|
| SMILES | C=COC(=O)C(CC)CCCC |
|---|
| Stability | Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO7875000
- CHEMICAL NAME :
- Hexanoic acid, 2-ethyl-, vinyl ester
- CAS REGISTRY NUMBER :
- 94-04-2
- BEILSTEIN REFERENCE NO. :
- 1767220
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C10-H18-O2
- MOLECULAR WEIGHT :
- 170.28
- WISWESSER LINE NOTATION :
- 4Y2&VO1U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4290 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 10 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 1 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 279,75,1992
|
Safety Information
| Hazard Codes | Xi |
|---|
| Risk Phrases | 36/37/38 |
|---|
| Safety Phrases | 26-36/37/39-36-61-60-36/37 |
|---|
| RIDADR | UN 3082 |
|---|
| RTECS | MO7875000 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 9 |
|---|
| 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
| EINECS 202-297-4 |
| ethenyl 2-ethylhexanoate |