Sodium benzoate (CAS 532-32-1) in Food & Feed Raw Materials: Properties and Specification Checks
Sodium benzoate (CAS 532-32-1; InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M) is a chemical raw material used in Food & Feed Raw Materials, with formula C7H5NaO2 and molecular weight 144.1 g/mol. This page lists database-verifiable properties, what those values imply for formulation and QC, and a specification checklist for Food & Feed Raw Materials applications.
Key takeaways
- TPSA 4 Ų and H-bond donors / 2 acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils.
- Molecular weight 144.1 g/mol: 1 mol = 144.1 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 144.01872368 supports HRMS identification (add a proton for [M+H]+).
- InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups.
- 1 rotatable bonds: flexible molecules often crystallise slowly and form solvates. If caking or a broad melting range appears, check polymorph and residual solvent before rejecting the assay.
Published properties of Sodium benzoate (by CAS 532-32-1)
| Property | Value |
|---|---|
| Molecular formula | C7H5NaO2 |
| Molecular weight | 144.1 g/mol |
| Accurate mass | 144.01872368 |
| IUPAC name | sodium benzoate |
| InChIKey | WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Topological polar surface area | 40.1 Ų |
| H-bond donors / acceptors | 0 / 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Melting point (product page) | 300 °C |
Computed values above: PubChem CID 517055; melting/boiling points, where shown, come from the site product page.
What the numbers mean in practice
| Aspect | Evidence and actionable conclusion |
|---|---|
| Molecular polarity | TPSA 4 Ų and H-bond donors / 2 acceptors mean a small polar surface area usually favours compatibility with non-polar resins and oils. |
| Dosing & analytical checks | Molecular weight 144.1 g/mol: 1 mol = 144.1 g. Use this for stoichiometric, neutralisation or substitution calculations — never substitute a related material by mass alone. Accurate mass 144.01872368 supports HRMS identification (add a proton for [M+H]+). |
| Substance identity | InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M is the reliable cross-database identifier — more dependable than a trade or common name for ruling out hydrate/anhydrous and same-name-different-substance mix-ups. |
| Crystallisation & incoming QC | 1 rotatable bonds: flexible molecules often crystallise slowly and form solvates. If caking or a broad melting range appears, check polymorph and residual solvent before rejecting the assay. |
Specification checklist for Food & Feed Raw Materials use
| Check | Why it matters | How to verify |
|---|---|---|
| Batch baseline (CAS 532-32-1) | Product-specific values to check line by line against the COA and specification; salts and hydrates differ | 分子量 144.1 g/mol; TPSA 4 Ų; InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Grade & regulatory fit | Food/feed and industrial grades carry different statutory limits | Request the grade-specific COA and production licence; check against GB 1886 / FCC / USP or the customer spec |
| Batch-level safety indices | Heavy metals, arsenic, microbes and residual solvents are statutory; assay alone does not establish compliance | Match report lot numbers to the COA, retain samples and arrange third-party retest for critical lots |
| Assay basis & hydration | Anhydrous vs hydrated mass changes both dosing and settlement | State the assay basis in the contract; verify by loss on drying or Karl Fischer |
| Packaging & arrival retest | Hygroscopic materials cake and drift in assay after moisture uptake | Use moisture-barrier liners; retest water content and appearance on arrival with ambient humidity logged |
Frequently asked questions
What are the formula, molecular weight and identifiers of Sodium benzoate (CAS 532-32-1)?
Formula C7H5NaO2, molecular weight 144.1 g/mol; accurate mass 144.01872368. CAS 532-32-1 resolves the substance across PubChem and ChemSpider; InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M distinguishes same-name substances, salts and hydrates. Use the molecular weight for stoichiometric conversion; purity and grade follow the batch COA.
Is Sodium benzoate suitable for Food & Feed Raw Materials applications, and what should be checked first?
Three checks: (1) the regulatory grade and production licence for the intended use; (2) impurity and safety indices plus test methods on the batch COA; (3) identity via CAS and substance identifiers to rule out hydrate/anhydrous or salt/free-form mix-ups. With limited published property data, determine solubility and addition method by bench testing rather than inference from related materials.
How is the dosage of Sodium benzoate calculated from molecular weight?
At 144.1 g/mol, 1 mol = 144.1 g. Blending, substitution and neutralisation should be calculated on molar equivalence, not by substituting mass parts of a related material. For hydrates or salts, adjust for active content and water of crystallisation from the COA.
What incoming-QC tests apply to Sodium benzoate on arrival?
At minimum: match the COA lot to the goods; retest assay and loss on drying / water; confirm identity via InChIKey WXMKPNITSTVMEF-UHFFFAOYSA-M or spectroscopy; retain a sample with opening conditions logged. Caking, colour shift or a broad melting range should trigger polymorph and residual-solvent checks.
Related materials
- 4 anisic acid（CAS 100-09-4）：CAS 100-09-4: listed in the same Food & Feed Raw Materials directory — compare grade, test method and COA items
- 4 dimethylamino benzaldehyde（CAS 100-10-7）：shares the 'benz' core; before substituting, check the CAS and molecular-weight gap, as salt formation adds a counter-ion
- terephthalic acid（CAS 100-21-0）：CAS 100-21-0: when used in Food & Feed Raw Materials formulations, confirm addition order by a bench test before dosing
- 2 5 pyridinedicarboxylic acid（CAS 100-26-5）：CAS 100-26-5: listed in the same Food & Feed Raw Materials directory — compare grade, test method and COA items
- 2 diethylaminoethanethiol（CAS 100-38-9）：CAS 100-38-9: a separate CAS entry; compare impurity limits and packaging conditions for Food & Feed Raw Materials use
- cyclamic acid（CAS 100-88-9）：CAS 100-88-9: when used in Food & Feed Raw Materials formulations, confirm addition order by a bench test before dosing
For side-by-side comparison see site search for Sodium benzoate, or browse the Organic Chemicals directory.
Supply & compliance
Jinan Shenghe Chemical Co., Ltd. supplies industrial and fine chemicals. When enquiring, state the product name, CAS, target grade and packaging; COA, SDS and technical data sheets are available with the shipment. Contact: info@chemsp.cn | +86-18553102138. This page is technical information for industrial raw materials; regulated food, feed, cosmetic or pharmaceutical uses require the corresponding grade and compliance with local rules.
Data sources
Source: PubChem computed properties, CID 517055 (https://pubchem.ncbi.nlm.nih.gov/compound/517055), accessed 2026-11-14; melting/boiling points, where shown, come from the site product page. Hydrates and salts carry different values — verify by CAS and InChIKey.