2-METHYLVALERIC ACID (CAS 97-61-0) — formula C6H12O2, molecular weight 116.08 g/mol; category organic chemicals.
2-METHYLVALERIC ACID is a carbon-based organic compound with CAS registry number 97-61-0 and molecular formula C6H12O2 (molecular weight 116.08 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97-61-0
Its molecular formula C6H12O2 comprises 6 C, 12 H, 2 O atoms.
Also known as: 2-METHYLVALERIC ACID · 2-Methylpentanoic acid
Category: organic chemicals
The CAS registry number of 2-METHYLVALERIC ACID is 97-61-0.
Molecular formula C6H12O2, molecular weight 116.08 g/mol.
It is also registered under: 2-METHYLVALERIC ACID, 2-Methylpentanoic acid.
Category: Organic Chemicals.
Public-database records for 2-METHYLVALERIC ACID (CAS 97-61-0), reproduced here for independent cross-checking.
| GHS notification summary | 1.5% (24 / 1615) |
|---|---|
| Reported hazard statements | H314 (98.5%), H318 (11.5%) |
This chemical does not meet GHS hazard criteria for 1.5% (24 of 1615) of reports.
H314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 1.5% (24 / 1615) |
| 沸点 | 196-197 °C |
|---|---|
| 密度 | 0.919-0.922 |
| 蒸气压 | 0.44 [mmHg] |
| LogP | 1.8 |
| 折射率 | 1.411-1.416 |
| CAS Registry Number | 97-61-0 |
|---|---|
| PubChem CID | 7341 |
| 分子式 | C6H12O2 |
| 分子量 | 116.08 g/mol |
| IUPAC 名称 | 2-methylpentanoic acid |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| UNII（FDA） | 26A19CG6J9 |
| ChEBI 编号 | CHEBI:167644 |
| FEMA 编号 | 2754 |
| JECFA 编号 | 261 |
2-Methylpentanoic acid; 2-METHYLVALERIC ACID; 97-61-0; Pentanoic acid, 2-methyl-; 2-Pentanecarboxylic acid; Methylpropylacetic acid; Valeric acid, 2-methyl-; alpha-Methylvaleric acid; FEMA No. 2754; DTXSID9021633; 26A19CG6J9; NSC-8406; DTXCID401633; CHEBI:167644; RefChem:476306; 202-594-9
| 分子量 | 116.16 |
|---|---|
| XLogP3 | 1.8 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 116.083729621 |
| 单同位素质量 | 116.083729621 |
| 拓扑极性表面积 | 37.3 |
| 重原子数 | 8 |
| 形式电荷 | 0 |
2-METHYLVALERIC ACID is identified by CAS 97-61-0, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII 26A19CG6J9; ChEBI 167644; InChIKey OVBFMEVBMNZIBR-UHFFFAOYSA-N. 沸点: 196-197 °C; 密度: 0.919-0.922; 蒸气压: 0.44 [mmHg].
Source: PubChem / Wikidata; the batch COA governs where values differ.
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