2-ethyl-2-methyloctanoate
hexyl 2-methylbutyrate
CAS: 10032-15-2
Molecular Formula: C11H22O2
2-ethyl-2-methyloctanoate - Names and Identifiers
| Name | hexyl 2-methylbutyrate |
| Synonyms | Hexyl 2-methyol buty hexyl 2-methylbutyrate hexyl 2-methylbutanoate n-Hexyl 2-methyl butyrate 2-ethyl-2-methyloctanoate 2-methyl-butyricacihexylester 2-methyl-butanoicacihexylester 2-Methylbutyric acid hexyl ester 2-methylbutanoicacid,n-hexylester Butanoicacid,2-methyl-,hexylester Butyric acid, 2-methyl-, hexyl ester 2-Methylbutanoic acid, n-hexyl ester |
| CAS | 10032-15-2 |
| EINECS | 233-106-2 |
| InChI | InChI=1/C11H22O2/c1-4-6-7-8-9-11(3,5-2)10(12)13/h4-9H2,1-3H3,(H,12,13)/p-1 |
2-ethyl-2-methyloctanoate - Physico-chemical Properties
| Molecular Formula | C11H22O2 |
| Molar Mass | 186.29 |
| Density | 0.857g/mLat 25°C(lit.) |
| Melting Point | -63.1°C (estimate) |
| Boling Point | 217-219°C(lit.) |
| Flash Point | 183°F |
| JECFA Number | 208 |
| Vapor Presure | 0.000815mmHg at 25°C |
| Appearance | neat |
| Refractive Index | n20/D 1.4185(lit.) |
| Physical and Chemical Properties | Colorless liquid. With a hot, raw fruit odor. Boiling point 215 °c. Soluble in ethanol and most non-volatile oils, insoluble in water. |
2-ethyl-2-methyloctanoate - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | 61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 3 |
| RTECS | ET5675000 |
| HS Code | 29154000 |
2-ethyl-2-methyloctanoate - Reference Information
| FEMA | 3499 | HEXYL 2-METHYLBUTANOATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| assay | was determined by method one in the ester assay (OT-18). The amount of the sample was 1.4g. The equivalence factor (e) in the calculation is taken as 93.15. Or according to GT-10-4 gas chromatography using non-polar column determination. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 21.5; Cold drink 25; Candy 36.7; Baked goods 51.7; pudding 31.3; Gum 0.23; Alcohol 7.0. Moderate limits (FDA § 172.515,2000). |
| Use | flavor. Mainly used in the preparation of fruit and tobacco-based flavor. it can be used for the blending of Apple, mint and pineapple flavor. |
| production method | consists of n-hexanol and isovalerate. |
Last Update：2024-04-10 22:29:15
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