| Identification | More | [Name]
Methyl isobutyrate | [CAS]
547-63-7 | [Synonyms]
2-METHYLPROPIONIC ACID-METHYL ESTER
FEMA 2694
ISOBUTYRIC ACID METHYL ESTER
METHYL-2-METHYLPROPANOATE
METHYL 2-METHYLPROPIONATE
METHYL DIMETHYLACETATE
METHYL ISOBUTYRATE
(CH3)2CHC(O)OCH3
2-methylpropanoicacidmethylester
2-methyl-propanoicacidmethylester
2-methyl-propanoicacimethylester
Methyl isobutanoate
Methyl methylpropanoate
Methylester kyseliny isomaselne
methylesterkyselinyisomaselne
Propanoicacid,2-methyl-,methylester
METHYL ISOBUTYRATE 99+%
Methyl #niso-butyrate
Methylisobutyrate,98%
methylmethylpropanoate,methyl2-methylpropanoate | [EINECS(EC#)]
208-929-5 | [Molecular Formula]
C5H10O2 | [MDL Number]
MFCD00008914 | [Molecular Weight]
102.13 | [MOL File]
547-63-7.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Melting point ]
-85--84 °C
| [Boiling point ]
90 °C (lit.) | [density ]
0.891 g/mL at 25 °C(lit.)
| [FEMA ]
2694 | [refractive index ]
n20/D 1.384(lit.)
| [Fp ]
38 °F
| [storage temp. ]
Flammables area | [solubility ]
alcohol: miscible | [form ]
Liquid | [color ]
Clear colorless | [Specific Gravity]
0.89 | [Odor]
at 10.00 % in dipropylene glycol. fruity floral apple pineapple | [biological source]
synthetic | [Odor Threshold]
0.0019ppm | [Odor Type]
fruity | [Water Solubility ]
slightly soluble | [JECFA Number]
185 | [Merck ]
14,6088 | [BRN ]
1740720 | [Henry's Law Constant]
2.6×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | [Major Application]
flavors and fragrances | [InChI]
1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3 | [InChIKey]
BHIWKHZACMWKOJ-UHFFFAOYSA-N | [SMILES]
COC(=O)C(C)C | [LogP]
1.06 | [CAS DataBase Reference]
547-63-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanoic acid, 2-methyl-, methyl ester(547-63-7) | [EPA Substance Registry System]
547-63-7(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Danger | [Hazard statements ]
H225 | [Precautionary statements ]
P210-P233-P240-P241-P242-P243 | [Hazard Codes ]
F,Xi,Xn | [Risk Statements ]
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 1237 3/PG 2 | [WGK Germany ]
3 | [RTECS ]
NQ5425000 | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29156000 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 2 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Isobutyric acid | [Preparation Products]
Isobutyric acid-->Methyl methacrylate-->1,3-DIMETHYL-4-PHENYL-4-PIPERIDINOL-->CIS-1,2-DIMETHYL-CYCLOPROPANEDICARBOXYLIC ACID DIMETHYL ESTER-->1,3-Dimethylpiperidin-4-one-->Methyl 2-bromo-2-methylpropionate-->Tetrahydropyran-->4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one-->ETHYL 4-METHYLVALERATE-->2-Isobutyrylcyclohexanone-->Isobutyl formate-->Propanoic acid, 2-methyl-2-(methylthio)--->5-Hexenoic acid, 2,2-dimethyl-, methyl ester |
| Hazard Information | Back Directory | [Chemical Properties]
methyl isobutyrate is a clear colourless liquid that has a fruity (apple–pineapple) odor and a sweet flavor reminiscent of apricot. soluble in water, miscible in common organic solvents. flammable. natural products exist in strawberries etc. | [Occurrence]
Reported found in Russian champagnes and among the volatile components of strawberry juice. Also reported
found in apple juice, banana, kumquat peel oil, blueberry, melon, papaya, pineapple, strawberry, fried potato, starfruit, dill herb,
cherimoya, kiwifruit, loquat, naranjilla fruit and cape gooseberry. | [Uses]
Methyl isobutyrate is used as a flavoring agent. It was used as diluent in forced Rayleigh scattering studies to measure diffusion coefficients for a ternary system comprising camphorquinone in poly(methyl methacrylate). | [Application]
Methyl isobutyrate can be used as a solvent, organic synthesis, standard for gas chromatography. radiofrequency-induced plasmas of methyl isobutyrate has been studied using mass spectrometry. | [Definition]
ChEBI: Methyl isobutyrate is the fatty acid methyl ester of isobutyric acid. It has a role as a metabolite. It derives from an isobutyric acid. | [Preparation]
Methyl isobutyrate can be synthesized by direct esterification of methanol with isobutyric acid. | [Taste threshold values]
Taste characteristics at 35 ppm: sweet, ethereal, fruity and juicy fruit | [General Description]
Radiofrequency-induced plasmas of methyl isobutyrate has been studied using mass spectrometry. | [Carcinogenicity]
Not listed by ACGIH, California
Proposition 65, IARC, NTP, or OSHA. |
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