2-Methylbutyl 2-methylbutyrate
Synonym(s):DL -2-Methylbutyric acid 2-methylbutyl ester
- CAS NO.：2445-78-5
- Empirical Formula: C10H20O2
- Molecular Weight: 172.26
- MDL number: MFCD00059395
- EINECS: 219-497-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-19 18:29:52
What is 2-Methylbutyl 2-methylbutyrate?
Description
2-Methylbutyl 2-methylbutyrate is like fruit, berry, and apple. May be prepared by esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C.
Chemical properties
2-Methylbutyl-2-methyl butyrate has a fruity, berry, apple like aroma.
Occurrence
Reported found as a component in the essential oil of hops (Humulus lupulus); also as the odorous component in Vaccinium vitis-idaea and in cocoa beans. Also reported found in apple, apricot, feyoa fruit (Feijoa sellowiana), melon, peppermint oil, spearmint oil, filberts, lovage leaf, myrtle leaf and berry and Roman chamomile oil
Preparation
By esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C
Definition
ChEBI: 2-Methylbutyl 2-methylbutanoate is a fatty acid ester.
Taste threshold values
Taste characteristics at 30 ppm: sweet, fruity, pineapple character, estery with green, waxy and woody nuances
Synthesis Reference(s)
The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032
Properties of 2-Methylbutyl 2-methylbutyrate
| Boiling point: | 70-72 °C11 mm Hg(lit.) |
| Density | 0.855 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3359 | 2-METHYLBUTYL 2-METHYLBUTYRATE |
| Flash point: | 153 °F |
| form | clear liquid |
| color | Colorless to Light yellow |
| Odor | at 10.00 % in dipropylene glycol. sweet fruity ester berry green waxy apple |
| JECFA Number | 212 |
| CAS DataBase Reference | 2445-78-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoic acid, 2-methyl-, 2-methylbutyl ester(2445-78-5) |
| EPA Substance Registry System | 2-Methylbutyl 2-methylbutyrate (2445-78-5) |
Safety information for 2-Methylbutyl 2-methylbutyrate
| Signal word | Warning |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for 2-Methylbutyl 2-methylbutyrate
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