化工社化工社 化学情報印刷レポート · 研究参考用
HCID 8314作成日：2026年10月27日
rac-(2R*)-2-メチルブタン酸
DL-2-メチル酪酸 · rac-(R*)-2-メチルブタン酸 · (±)-2-メチル酪酸 · rac-(R*)-2-メチル酪酸 · DL-エチルメチル酢酸 · rac-(2R*)-2-メチルブタン酸 · (±)-α-メチル酪酸 · メチル酪酸, DL-2-
https://huagongshe.com/ja/chemical/8314
識別子と物理属性
| CAS No. | 116-53-0 |
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| 分子式 | C5H10O2 |
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| 平均分子量 | 102.13 g/mol |
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| 単同位体質量 | 102.06807956 g/mol |
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| SMILES | CCC(C)C(=O)O |
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| InChIKey | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
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| PubChem CID | 8314 |
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| ChEMBL | CHEMBL1160012 |
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| ChEBI | CHEBI:37070 |
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| EC No. | 204-145-2 |
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| DTXSID | DTXSID5021621 |
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| 現地名 | rac-(2R*)-2-メチルブタン酸 |
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化学・物理的性質
| XLogP | 1.2 |
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| 極性表面積 | 37.3 |
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| 水素結合供与体数 | 1 |
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| 水素結合受容体数 | 2 |
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| 回転可能結合数 | 2 |
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| 重原子数 | 7 |
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| 形式電荷 | 0 |
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| 複雑度 | 68 |
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| LogP（分配係数） | 1.18 |
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| 密度 | 0.932-0.9360.936 g/mL at 25 °C(lit.) |
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| 溶解度 | 45 mg/mL at 20 °C1 ml in 1 ml 95% alcohol (in ethanol) |
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| 沸点 | 176.00 to 177.00 °C. @ 760.00 mm Hg176 °C176-177 °C(lit.) |
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| 屈折率 | 1.404-1.408n20/D 1.405(lit.) |
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| Physical Description | LiquidSolidcolourless to pale yellow liquid |
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| Kovats Retention Index | 839842838866890818815869.5830819861846813829896886.285087886787587387987087686885785485887216821657166016481687169316581683167117001706166217031675168616551705 |
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| Collision Cross Section | 123.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5021621] |
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| 融点 | -70°C |
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| 蒸気圧 | 0.5 mm Hg ( 20 °C) |
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| FEMA | 2695 | 2-METHYLBUTYRIC ACID |
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| 引火点 | 165 °F |
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| pKa（酸解離定数） | 4.8(at 25℃) |
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| CAS データベース | 600-07-7(CAS DataBase Reference) |
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| NISTの化学物質情報 | 2-Methylbutyric acid(600-07-7) |
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| EPAの化学物質情報 | Butanoic acid, 2-methyl-(600-07-7) |
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安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1864) of reports.DangerH302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (99.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (> 99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (83.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1864 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 1864 reports by companies.There are 19 notifications provided by 1863 of 1864 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| 規制情報 | Chemical: Butanoic acid, 2-methyl-Regulation (EC) No 1831/2003 (amended)Butanoic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanoic acid, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/241662-Methylbutyric acid: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Met. Corr. 1 (100%)Acute Tox. 4 (100%)Skin Corr. 1C (100%)Eye Dam. 1 (100%)Acute Tox. 4 (99.8%)Skin Corr. 1B (> 99.9%)Eye Dam. 1 (83.6%) |
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