Introduction：Basic information about CAS 16491-54-6|1-octen-3-yl butyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-octen-3-yl butyrate |
|---|
| CAS Number | 16491-54-6 | Molecular Weight | 198.30200 |
|---|
| Density | 0.87g/mLat25ºC(lit.) | Boiling Point | 248.4ºC at 760mmHg |
|---|
| Molecular Formula | C12H22O2 | Melting Point | 225-229ºC(lit.) |
|---|
| MSDS | ChineseUSA | Flash Point | 210 |
|---|
Names
| Name | oct-1-en-3-yl butanoate |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.87g/mLat25ºC(lit.) |
|---|
| Boiling Point | 248.4ºC at 760mmHg |
|---|
| Melting Point | 225-229ºC(lit.) |
|---|
| Molecular Formula | C12H22O2 |
|---|
| Molecular Weight | 198.30200 |
|---|
| Flash Point | 210 |
|---|
| Exact Mass | 198.16200 |
|---|
| PSA | 26.30000 |
|---|
| LogP | 3.46460 |
|---|
| Vapour Pressure | 0.0244mmHg at 25°C |
|---|
| Index of Refraction | n20/D 1.4295(lit.) |
|---|
| InChIKey | LZWFXVJBIZIHCH-UHFFFAOYSA-N |
|---|
| SMILES | C=CC(CCCCC)OC(=O)CCC |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ET7030000
- CHEMICAL NAME :
- Butyric acid, 1-vinylhexyl ester
- CAS REGISTRY NUMBER :
- 16491-54-6
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H22-O2
- MOLECULAR WEIGHT :
- 198.34
- WISWESSER LINE NOTATION :
- 3VOY5&1U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3424 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,249,1980
|
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
|---|
| RIDADR | NONH for all modes of transport |
|---|
| WGK Germany | 2 |
|---|
| RTECS | ET7030000 |
|---|
Articles1
More Articles
| Organoleptic Characteristics of Flavor Materials Mosciano, G. Perfum. Flavor. 7th ed., 30 , 58, (2005)
| |
Synonyms
| Butanoic acid 1-octen-3-yl ester |
| EINECS 240-555-8 |
| Butanoic acid,1-ethenylhexyl ester |
| Butyric acid,1-pentylallyl ester |
| FEMA No. 3612 |
| 1-Pentylallyl butyrate |
| 1-Octen-3-ol butyrate |
| 1-Pentylallylbutyrat |
| 1-Ethenylhexyl butanoate |
| 1-Octen-3-yl butyrate |
