Methyl isobutyrate - ≥99% , CAS No.547-63-7

CAS: 547-63-7 Cat. No.: M100041 Molecular Weight: 102.13 Beilstein Registry Number: 1740720 EC Number: 208-929-5

GRADE & PURITY ≥99%

Synonyms

MFCD00131929 | NSC126780 | NSC-126780 | J-522610 | EM286QL922 | Methyl isobutyrate, 99% | Methyl methylpropanoate | Methylester kyseliny isomaselne | BS-22318 | A830359 | EINECS 208-929-5 | DTXSID5060275 | ISOBUTYRIC ACID METHYL ESTER | SCHEMBL66536 | Pro

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

Application：

Methyl isobutyrate was used as diluent in forced Rayleigh scattering studies to measure diffusion coefficients for a ternary system comprising camphorquinone in poly(methyl methacrylate).

Specifications

Synonyms

MFCD00131929 | NSC126780 | NSC-126780 | J-522610 | EM286QL922 | Methyl isobutyrate, 99% | Methyl methylpropanoate | Methylester kyseliny isomaselne | BS-22318 | A830359 | EINECS 208-929-5 | DTXSID5060275 | ISOBUTYRIC ACID METHYL ESTER | SCHEMBL66536 | Pro

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488181247
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181247
• Canonical Smiles: CC(C)C(=O)OC
• IUPAC Name: methyl 2-methylpropanoate
• InChIKey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
• Isomeric SMILES: CC(C)C(=O)OC
• WGK Germany: 3
• RTECS: NQ5425000
• UN Number: 1237
• Molecular Weight: 102.13
• Beilstein: 1740720
• Reaxy-Rn: 1740720
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740720&ln=

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Heat sensitive
• Refractive Index: 1.384
• Flash Point(°F): 53.6 °F
• Flash Point(°C): 12℃
• Boil Point(°C): 90°C
• Melt Point(°C): -84--85°C
• Molecular Weight: 102.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 66.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Cong Fan, Jian Fan, Haofeng Chen, Shujin Lin, Danli Zhang, Jingya Song, Junyi Wang, Yan Wang, Xiao Han, Jifeng Yuan.  (2025)  Switching the yeast metabolism via manipulation of sugar phosphorylation.  METABOLIC ENGINEERING,      [PMID:39988025] [10.1016/j.ymben.2025.02.008]