2-甲基丁酸，CAS 登记号 116-53-0，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
食用香精；有机化学品
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本页已列出 2-甲基丁酸 的 CAS 号：116-53-0，可与随货 COA 核对。
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2-Methylbutyric Acid is identified by CAS 116-53-0, molecular formula C5H10O2 and molecular weight 102.07 g/mol. UNII PX7ZNN5GXK; ChEBI 37070; InChIKey WLAMNBDJUVNPJU-UHFFFAOYSA-N. Boiling Point: 176.00 to 177.00 °C. @ 760.00 mm Hg; Boiling Point: 176 °C; Solubility: 45 mg/mL at 20 °C.
| CAS Registry Number | 116-53-0 |
|---|---|
| PubChem CID | 8314 |
| Molecular formula | C5H10O2 |
| Molecular weight | 102.07 g/mol |
| IUPAC name | 2-methylbutanoic acid |
| InChIKey | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
| UNII (FDA) | PX7ZNN5GXK |
| ChEBI ID | CHEBI:37070 |
| FEMA number | 2695 |
| JECFA number | 255 |
| Molecular Weight | 102.13 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.068079557 |
| Monoisotopic Mass | 102.068079557 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 176 °C |
| Solubility | 45 mg/mL at 20 °C |
| Density | 0.932-0.936 |
| LogP | 1.18 |
| Refractive Index | 1.404-1.408 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Butter, Cheese, Fermented, Sour No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1864) |
| GHS notification summary | 0.1% (1 / 1864) |
|---|---|
| Reported hazard statements | H302 (99.8%), H312 (99.8%), H314, H318 (83.6%), H290 (100%) |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1864) of reports.
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]
2-Methylbutanoic acid; 116-53-0; 2-METHYLBUTYRIC ACID; DL-2-Methylbutyric acid; Butanoic acid, 2-methyl-; Ethylmethylacetic acid; Methylethylacetic acid; 2-Methybutyric acid; alpha-Methylbutyric acid; FEMA No. 2695; DTXSID5021621; PX7ZNN5GXK; NSC-7304; DTXCID301621; CHEBI:37070; RefChem:910087
CAS 116-53-0; molecular formula C5H10O2; molecular weight 102.07 g/mol.
2-Methylbutanoic acid, 116-53-0, 2-METHYLBUTYRIC ACID, DL-2-Methylbutyric acid, Butanoic acid, 2-methyl-, Ethylmethylacetic acid.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
0.1% of GHS notifications report no hazard classification (1 of 1864).
Boiling Point: 176.00 to 177.00 °C. @ 760.00 mm Hg; Boiling Point: 176 °C; Solubility: 45 mg/mL at 20 °C; Density: 0.932-0.936.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.