Introduction：Basic information about CAS 58430-94-7|1-Hexanol,3,5,5-trimethyl-, 1-acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Hexanol,3,5,5-trimethyl-, 1-acetate |
|---|
| CAS Number | 58430-94-7 | Molecular Weight | 186.29100 |
|---|
| Density | 0.87 g/cm3 | Boiling Point | 193.2ºC at 760 mmHg |
|---|
| Molecular Formula | C11H22O2 | Melting Point | -26°C (estimate) |
|---|
| MSDS | / | Flash Point | 79ºC |
|---|
Names
| Name | 3,5,5-trimethylhexyl acetate |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.87 g/cm3 |
|---|
| Boiling Point | 193.2ºC at 760 mmHg |
|---|
| Melting Point | -26°C (estimate) |
|---|
| Molecular Formula | C11H22O2 |
|---|
| Molecular Weight | 186.29100 |
|---|
| Flash Point | 79ºC |
|---|
| Exact Mass | 186.16200 |
|---|
| PSA | 26.30000 |
|---|
| LogP | 3.01190 |
|---|
| Index of Refraction | 1.424 |
|---|
| InChIKey | DGKXDLCVQSQVBC-UHFFFAOYSA-N |
|---|
| SMILES | CC(=O)OCCC(C)CC(C)(C)C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AK0840000
- CHEMICAL NAME :
- Acetic acid, 3,5,5-trimethylhexyl ester
- CAS REGISTRY NUMBER :
- 58430-94-7
- BEILSTEIN REFERENCE NO. :
- 1758391
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C11-H22-O2
- MOLECULAR WEIGHT :
- 186.33
- WISWESSER LINE NOTATION :
- 1X1&1&1Y1&2OV1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4250 mg/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: 12,1009,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/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: 12,1009,1974
|
Safety Information
Synonyms
| 3,5,5-trimethyl-1-hexanol acetate |
| EINECS 261-245-9 |
| 3,5,5-Trimethylhexan-1-ol acetate |
| ACETIC ACID,3,5,5-TRIMETHYLHEXYL ESTER |
| 1-Hexanol,3,5,5-trimethyl-,acetate |
| iso-nonyl acetate |
| Nonanyl acetate |
