Methyl salicylate molecular skeletal chemical formula 37076499 vector describes a precise structural representation of oil of wintergreen, widely used in analytical chemistry and formulation work. This compound combines a clear molecular architecture with a stable vector format that supports accurate modeling and documentation.
Professionals rely on a well defined skeletal framework to communicate atom connectivity and functional groups without depicting every hydrogen explicitly. The following sections detail core properties, applications, handling considerations, and common user questions related to this specific chemical entity.
| Property | Value | Unit | Notes |
|---|---|---|---|
| Common Name | Methyl salicylate | - | Oil of wintergreen flavor and fragrance agent |
| CAS Registry Number | 37076499 | - | Unique identifier for regulatory and tracking purposes |
| Molecular Formula | C8H8O3 | - | Counts of carbon, hydrogen, and oxygen atoms |
| Molar Mass | 152.15 | g mol-1 | Used for stoichiometric calculations in lab and industry |
| Canonical SMILES | COC(=O)C1=CC=CC=C1O | - | Simplified molecular-input line-entry system for vector formats |
Molecular Architecture and Skeletal Representation
Understanding the methyl salicylate molecular skeletal chemical formula 37070649 vector starts with recognizing the aromatic benzene core linked to a carboxylic ester and a hydroxyl group. The skeletal diagram emphasizes bond connectivity, allowing rapid recognition of key functional moieties while omitting peripheral hydrogen atoms.
This streamlined visualization supports fast comparisons across analogues and assists in predicting reactivity patterns such as ester hydrolysis and ortho substitution effects. Vector formats retain precise coordinates, which proves valuable for digital annotations, virtual screening, and integration with cheminformatics tools.
Practical Uses in Industry and Research
In flavor and fragrance applications, methyl salicylate contributes a characteristic wintergreen note at controlled concentrations due to its distinct odor threshold and volatility profile. Formulators leverage its moderate polarity and compatibility with oils and resins to optimize product performance.
Analytical laboratories employ this compound as a reference standard in chromatography and spectroscopy, where accurate retention times and spectral fingerprints depend on a pure, well characterized sample. Its defined methyl salicylate molecular skeletal chemical formula 37076499 vector supports consistent library matching and regulatory reporting.
Safety, Handling, and Regulatory Aspects
Like many aromatic esters, methyl salicylate requires careful handling because it can cause skin irritation and respiratory sensitization at elevated exposures. Workplace controls include local ventilation, protective equipment, and adherence to established occupational exposure limits.
Regulatory bodies maintain lists of approved uses and reporting thresholds, and the CAS number 37076499 simplifies cross referencing those databases. Proper labeling, storage in tightly sealed containers, and thorough documentation support compliance and risk management.
Analytical Data and Quality Considerations
Quality specifications for methyl salicylate typically include limits on moisture, residual solvents, and related impurities that could affect downstream formulations. Analytical methods such as gas chromatography and mass spectrometry provide the precision needed to verify identity and purity against established criteria.
Reference vectors derived from the methyl salicylate molecular skeletal chemical formula 37076499 enable rapid alignment with experimental data, helping laboratories detect deviations early and maintain consistent batch quality.
Key Takeaways for Professional Use
- Treat the CAS number 37076499 as the primary cross reference in databases and documentation.
- Leverage the methyl salicylate molecular skeletal chemical formula 37076499 vector for consistent digital representations across projects.
- Align handling procedures with established safety data sheet recommendations to minimize exposure risks.
- Validate analytical methods using reference standards and verified spectral vectors to maintain data integrity.
- Document quality parameters and regulatory status to support efficient audits and formulation approvals.
FAQ
Reader questions
What does the CAS number 37076499 represent for this compound?
The CAS number 37076499 is a unique identifier assigned to methyl salicylate, supporting accurate tracking in regulatory submissions, safety data sheets, and inventory systems worldwide.
How is the methyl salicylate molecular skeletal chemical formula 37076499 vector typically used in modeling?
Vector formats store coordinates and connectivity derived from the skeletal structure, enabling precise digital models for cheminformatics, docking studies, and visualization without redundant hydrogen atoms.
Which functional groups are highlighted by the skeletal diagram of methyl salicylate?
The skeletal diagram emphasizes the aromatic ring, the ester linkage at the ring periphery, and the phenolic hydroxyl group, which together define much of its chemical behavior.
What key parameters should be verified when assessing the quality of methyl salicylate material?
Key parameters include purity by chromatography, moisture content, residual solvent levels, and spectral consistency against reference vectors to ensure fitness for analytical or formulation use.