CAS Number816-66-0
Synonyms2-Oxo-4-methylvaleric acid; α-ketoisocaproic acid; 2-Oxoisocaproic acid; 2-KETOISOCAPROIC ACID; EINECS 212-435-5; 4-Methyl-2-oxopentanoic acid; &α;-ketoisocaproic acid; 2-keto-4-Methylvaleric acid; 4-Methyl-2-oxovaleric Acid; 4-methyl-2-oxo-Valeric acid; Ketoleucine; MFCD00066204; α-keto-isocaproic acid
Molecular Formula(CH3)2CHCH2COCOOH
Molecular Weight130.14
Purity≥98.0 (T)%
Density1.1±0.1 g/cm3
Boiling Point82-83 °C/11 mmHg (lit.)
Melting Point8-10 °C
AppearanceColorless to light yellow liquid
EINECS212-435-5
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 816-66-0 |
| Catalog No. | 2A-9007098 |
| Chinese Name | 4-甲基-2-氧戊酸 |
| Synonyms | 2-Oxo-4-methylvaleric acid; α-ketoisocaproic acid; 2-Oxoisocaproic acid; 2-KETOISOCAPROIC ACID; EINECS 212-435-5; 4-Methyl-2-oxopentanoic acid; &α;-ketoisocaproic acid; 2-keto-4-Methylvaleric acid; 4-Methyl-2-oxovaleric Acid; 4-methyl-2-oxo-Valeric acid; Ketoleucine; MFCD00066204; α-keto-isocaproic acid |
| Molecular Formula | (CH3)2CHCH2COCOOH |
| Molecular Weight | 130.14 |
| Purity | ≥98.0 (T) |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 82-83 °C/11 mmHg (lit.) |
| Melting Point | 8-10 °C |
| Appearance | Colorless to light yellow liquid |
| Storage Condition | Store airtight at 2-8°C |
| Packaging | III |
| Application | 4-Methyl-2-oxopentanoic acid, an abnormal metabolite, is both a neurotoxin and a metabolic toxin. |
| EINECS | 212-435-5 |
| HTC | 2918300090 |
| UN(IATA) | UN 3265 |
| PubChem ID | 57652142 |
| MDL Number | MFCD00066204 |
| SMILES | CC(C)CC(=O)C(O)=O |
| InChI | 1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) |
| InChI Key | BKAJNAXTPSGJCU-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1701823 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 8 |
| Risk Codes | R34 |
| Safety Description | S26;S36/37/39;S45 |
| MSDS | msds/7098_1_816_66_0.pdf |
| Bioactivity | 4-Methyl-2-oxopentanoic acid, an abnormal metabolite, is both a neurotoxin and a metabotoxin. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Target Human Endogenous Metabolite References [1]. Yudkoff M, et al. Brain amino acid requirements and toxicity: the example of leucine. J Nutr. 2005 Jun;135(6 Suppl):1531S-8S. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 190.5±9.0 °C at 760 mmHg Melting Point 8-10 °C Molecular Formula C6H10O3 Molecular Weight 130.142 Flash Point 83.3±15.2 °C Exact Mass 130.062988 PSA 54.37000 LogP 0.17 Vapour Pressure 0.2±0.8 mmHg at 25°C Index of Refraction 1.438 InChIKey BKAJNAXTPSGJCU-UHFFFAOYSA-N SMILES CC(C)CC(=O)C(=O)O Storage condition 2-8°C |
| Use of | 4-Methyl-2-oxopentanoic acid, an abnormal metabolite, is both a neurotoxin and a metabotoxin. Properties Articles35 Name 4-methyl-2-oxopentanoic acid Synonym More Synonyms Ketoleucine Biological Activity Description 4-Methyl-2-oxopentanoic acid, an abnormal metabolite, is both a neurotoxin and a metabotoxin. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Human Endogenous Metabolite References [1]. Yudkoff M, et al. Brain amino acid requirements and toxicity: the example of leucine. J Nutr. 2005 Jun;135(6 Suppl):1531S-8S. Chemical & Physical Properties Molecular Formula C6H10O3 Exact Mass 130.062988 PSA 54.37000 Index of Refraction 1.438 InChIKey BKAJNAXTPSGJCU-UHFFFAOYSA-N SMILES CC(C)CC(=O)C(=O)O |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3265 International Maritime Danger Regulations: 3265 International Air Transport Danger Regulations: 3265 14.2 United Nations shipping name European Land Transport Dangerous Regulations: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (4-Methyl-2-oxovaleric acid) IMDG: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. (4-Methyl-2-oxovaleric acid) International air transport hazard regulations: Corrosive liquid, acidic, organic, n.o.s. (4-Methyl-2-oxovaleric acid) 14.3 Transport hazard categories European Dangerous Regulations for land transport: 8 International Dangerous Regulations for sea transport: 8 International Dangerous Regulations for air transport: 8 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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