2-甲基丁酸（CAS 116-53-0）：分子式 C5H10O2、分子量 102.13。
| CAS号 | 116-53-0 |
|---|---|
| 分子式 | C5H10O2 |
| 分子量 | 102.13 |
| 沸点 | 176.00 to 177.00 °C. @ 760.00 mm Hg |
| LogP | 1.18 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Solvent、Fuel agents、Intermediate、U.S. Production: 2023: 1、000、000 - <8、500、000 lb、2022: 8、000 - <25、2021: 1、2020: 1、General Manufacturing Information: Agriculture、Forestry、Fishing and Hunting、Petroleum Lubricating Oil and Grease Manufacturing、All Other Basic Organic Chemical Manufacturing、Butanoic acid、2-methyl-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Solvent、Fuel agents、Intermediate、U.S. Production: 2023: 1、000、000 - <8、500、000 lb、2022: 8、000 - <25、2021: 1、2020: 1、General Manufacturing Information: Agriculture、Forestry、Fishing and Hunting、Petroleum Lubricating Oil and Grease Manufacturing、All Other Basic Organic Chemical Manufacturing、Butanoic acid、2-methyl-: ACTIVE。
2-甲基丁酸 是一种化工化合物，登记 CAS 号为 116-53-0，分子式 C5H10O2（分子量 102.13）。
登记 CAS 号：116-53-0
其分子式 C5H10O2 由 5 个碳、10 个氢、2 个氧 组成。
别名/同义词：2-甲基丁酸 · 2-Methylbutyric Acid
2-甲基丁酸 的 CAS 登记号为 116-53-0。
分子式 C5H10O2，分子量 102.13。
别名/同义词：2-甲基丁酸、2-Methylbutyric Acid。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Industry Uses: Solvent、Fuel agents、Intermediate、U.S. Production: 2023: 1、000、000 - <8、500、000 lb、2022: 8、000 - <25、2021: 1、2020: 1、General Manufacturing Information: Agriculture、Forestry、Fishing and Hunting、Petroleum Lubricating Oil and Grease Manufacturing、All Other Basic Organic Chemical Manufacturing、Butanoic acid、2-methyl-: ACTIVE。
2-甲基丁酸（CAS 116-53-0）的独立参考数据，整理自公开化学数据库。
| 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 |
| 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 |
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
| 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-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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Methylbutyric Acid