| Identification | More | [Name]
2-Methylbutyl 2-methylbutyrate | [CAS]
2445-78-5 | [Synonyms]
2-METHYLBUTYL 2-METHYLBUTYRATE
2-METHYLBUTYL DL-2-METHYLBUTYRATE
DL-2-METHYLBUTYRIC ACID 2-METHYLBUTYL ESTER
FEMA 3359
METHYL-2-BUTYL-2-METHYLBUTYRATE
2-methyl-butanoicaci2-methylbutylester
Butanoic acid, 2-methyl-, 2-methylbutyl ester
Butanoicacid,2-methyl-,2-methylbutylester
Butyric acid, 2-methyl-, 2-methylbutyl ester
Methylbutyricacidmethylbutylester
2-METHYLBUTYL 2-METHYLBUTYRATE 90+%
2-Methylbutyric acid 2-methylbutyl ester
2-METHYLBUTYL-2-METHYL BUTYRATE, NATURAL
2-Methylbutanoic acid 2-methylbutyl ester | [EINECS(EC#)]
219-497-2 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00059395 | [Molecular Weight]
172.26 | [MOL File]
2445-78-5.mol |
| Chemical Properties | Back Directory | [Boiling point ]
70-72 °C11 mm Hg(lit.) | [density ]
0.855 g/mL at 25 °C(lit.)
| [FEMA ]
3359 | [refractive index ]
n20/D 1.411-1.417(lit.)
| [Fp ]
153 °F
| [form ]
clear liquid | [color ]
Colorless to Light yellow | [Odor]
at 10.00 % in dipropylene glycol. sweet fruity ester berry green waxy apple | [biological source]
synthetic | [Odor Type]
fruity | [JECFA Number]
212 | [Major Application]
flavors and fragrances | [InChI]
1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 | [InChIKey]
PVYFCGRBIREQLL-UHFFFAOYSA-N | [SMILES]
CCC(C)COC(=O)C(C)CC | [LogP]
3.53 | [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]
2445-78-5(EPA Substance) |
| Safety Data | Back Directory | [Signal word ]
Warning | [Hazard statements ]
H227 | [Precautionary statements ]
P210-P280-P370+P378-P403+P235-P501 | [Hazard Codes ]
N | [Risk Statements ]
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3082 9/PG 3
| [WGK Germany ]
3
| [TSCA ]
TSCA listed | [HS Code ]
29156000 | [Storage Class]
10 - Combustible liquids |
| Hazard Information | Back Directory | [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 | [Definition]
ChEBI: 2-Methylbutyl 2-methylbutanoate is a fatty acid ester. | [Preparation]
By esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C | [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 |
| Questions And Answer | Back Directory | [Application]
2-Methylbutyrate, also known as dl-2-methylbutyric acid or α,β-methylbutyrate, is a natural product with a sweet fruity, ester-like, green, and waxy aroma. Its flavor profile is sweet, fruity, jackfruit-like, green, waxy, and woody. It is used in the formulation of food flavorings such as jackfruit, peach, candied ice cream, apple, grape, banana, melon, and berry flavorings, as well as in the blending of cosmetic flavorings. |
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