DL-2-Methylbutyric acid (CAS 600-07-7) — formula C5H10O2, molecular weight 102.13; category organic chemicals.
| CAS Number | 600-07-7 |
|---|---|
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.13 |
| Boiling Point | 176.00 to 177.00 °C. @ 760.00 mm Hg |
| LogP | 1.18 |
| Applications | 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 |
| Category | Organic Chemicals |
Documented applications: 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.
DL-2-Methylbutyric acid is a carbon-based organic compound with CAS registry number 600-07-7 and molecular formula C5H10O2 (molecular weight 102.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 600-07-7
Its molecular formula C5H10O2 comprises 5 C, 10 H, 2 O atoms.
Also known as: DL-2-Methylbutyric acid · DL-2-甲基丁酸
Category: organic chemicals
The CAS registry number of DL-2-Methylbutyric acid is 600-07-7.
Molecular formula C5H10O2, molecular weight 102.13.
It is also registered under: DL-2-Methylbutyric acid, DL-2-甲基丁酸.
Recorded applications: 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.
Category: Organic Chemicals.
Independent reference data for DL-2-Methylbutyric acid (CAS 600-07-7), compiled from public chemistry databases.
| CAS Registry Number | 600-07-7 |
|---|---|
| PubChem CID | 8314 |
| Molecular formula | C5H10O2 |
| IUPAC name | 2-methylbutanoic acid |
| UNII (FDA) | PX7ZNN5GXK |
| 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]
DL-2-Methylbutyric acid · CAS 600-07-7 · C5H10O2. UNII PX7ZNN5GXK. Boiling Point: 176.00 to 177.00 °C. @ 760.00 mm Hg; Boiling Point: 176 °C; Solubility: 45 mg/mL at 20 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: DL-2-甲基丁酸