Introduction：Basic information about CAS 105-68-0|Isoamyl propanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isoamyl propanoate |
|---|
| CAS Number | 105-68-0 | Molecular Weight | 144.211 |
|---|
| Density | 0.9±0.1 g/cm3 | Boiling Point | 160.7±0.0 °C at 760 mmHg |
|---|
| Molecular Formula | C8H16O2 | Melting Point | -73ºC |
|---|
| MSDS | ChineseUSA | Flash Point | 47.8±0.0 °C |
|---|
| Symbol |
GHS02 | Signal Word | Warning |
|---|
Names
| Name | isoamyl propanoate |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|
| Boiling Point | 160.7±0.0 °C at 760 mmHg |
|---|
| Melting Point | -73ºC |
|---|
| Molecular Formula | C8H16O2 |
|---|
| Molecular Weight | 144.211 |
|---|
| Flash Point | 47.8±0.0 °C |
|---|
| Exact Mass | 144.115036 |
|---|
| PSA | 26.30000 |
|---|
| LogP | 2.65 |
|---|
| Vapour Pressure | 2.4±0.3 mmHg at 25°C |
|---|
| Index of Refraction | 1.411 |
|---|
| InChIKey | XAOGXQMKWQFZEM-UHFFFAOYSA-N |
|---|
| SMILES | CCC(=O)OCCC(C)C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NT0190000
- CHEMICAL NAME :
- Isopentyl alcohol, propionate
- CAS REGISTRY NUMBER :
- 105-68-0
- BEILSTEIN REFERENCE NO. :
- 1747359
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C8-H16-O2
- MOLECULAR WEIGHT :
- 144.24
- WISWESSER LINE NOTATION :
- 2VO2Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,809,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ERNFA7 Ernaehrungsforschung. (Akademie-Verlag GmbH, Leipziger St. 3-4, 108 Berlin, Ger. Dem. Rep.) V.1- 1956- Volume(issue)/page/year: 7,211,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 6924 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,809,1975
|
Safety Information
| Symbol |
GHS02 |
|---|
| Signal Word | Warning |
|---|
| Hazard Statements | H226 |
|---|
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|
| Risk Phrases | R10 |
|---|
| Safety Phrases | S16-S27-S36/37/39 |
|---|
| RIDADR | UN 3272 3/PG 3 |
|---|
| WGK Germany | 1 |
|---|
| RTECS | NT0190000 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 3.2 |
|---|
| HS Code | 2915509000 |
|---|
Customs
| HS Code | 2915509000 |
|---|
| Summary | 2915509000 propionic acid, its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
|---|
Articles1
More Articles
| Mosciano, G. Perfum. Flavor. 2nd ed., 24 , 51, (1999)
| |
Synonyms
| 4-02-00-00709 (Beilstein Handbook Reference) |
| Isoamyl propanoate |
| Propionic Acid Isoamyl Ester |
| 3-methylbutyl propanoate |
| EINECS 203-322-1 |
| 3-Methylbutyl propionate |
| Isoamyl propionate |
| 1-Butanol, 3-methyl-, propanoate |
| Isopentyl propanoate |
| MFCD00048611 |
| Propionic acid, isopentyl ester |
| iso-Pentyl propionate |
