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· · COA & SDS available for every product · Same-day shipping on in-stock items p-Tolyl Isovalerate - ≥98%(GC) , CAS No.55066-56-3
Synonyms
Butanoic acid,3-methyl-, 4-methylphenyl ester | Cresyl isovalerate, p- | C8JG0XTQ0Z | Tox21_302643 | SCHEMBL1532609 | NCGC00256787-01 | AI3-24274 | Methylphenyl 3-methylbutyrate, p- | NSC 32511 | MVDPTWHTUYDLTL-UHFFFAOYSA- | Butanoic acid, 3-methyl-, 4-me
Storage
Store at 2-8°C,Protected from light,Argon charged
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Butanoic acid, 3-methyl-, 4-methylphenyl ester | Cresyl isovalerate, p- | C8JG0XTQ0Z | Tox21_302643 | SCHEMBL1532609 | NCGC00256787-01 | AI3-24274 | Methylphenyl 3-methylbutyrate, p- | NSC 32511 | MVDPTWHTUYDLTL-UHFFFAOYSA- | Butanoic acid, 3-methyl-, 4-me
Specifications & Purity
≥98%(GC)
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)OC(=O)CC(C)C IUPAC Name (4-methylphenyl) 3-methylbutanoate InChIKey MVDPTWHTUYDLTL-UHFFFAOYSA-N INCHI 1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 Isomeric SMILES CC1=CC=C(C=C1)OC(=O)CC(C)C PubChem CID 62092 Molecular Weight 192.26 Reaxy-Rn 2519828
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Phenol esters Subclass Not available Intermediate Tree Nodes Not available Direct Parent Phenol esters Alternative Parents Phenoxy compounds Toluenes Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Phenol ester - Phenoxy compound - Toluene - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture Sensitive；Light sensitive Refractive Index 1.48 Flash Point(°C) 99 °C Boil Point(°C) 125°C/10mmHg(lit.) Molecular Weight 192.250 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 192.115 Da Monoisotopic Mass 192.115 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 179.000 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
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