2-Methylvaleric acid - CAS 97-61-0
Catalog: |
BB042063 |
Product Name: |
2-Methylvaleric acid |
CAS: |
97-61-0 |
Synonyms: |
Pentanoic acid, 2-methyl-; Valeric acid, 2-methyl-; Valeric acid, α-methyl-; (±)-2-Methylpentanoic acid; 2-Methyl-n-valeric acid; 2-Pentanecarboxylic acid; DL-2-Methylpentanoic acid; Methylpropylacetic acid; NSC 8406; α-Methylvaleric acid |
Related CAS: | 22160-39-0 (Deleted CAS)
|
IUPAC Name: | 2-methylpentanoic acid |
Description: | An intermediate in the preparation of 4-Amino-2,2,6,6-tetra-methyl Piperidine-1-oxyl. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | CCCC(C)C(=O)O |
InChI: | InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
InChI Key: | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
Boiling Point: | 196.5°C |
Melting Point: | -85°C |
Flash Point: | 91°C |
Purity: | ≥95% |
Density: | 0.920 g/cm3 |
Solubility: | Soluble in Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | Colorless to pale yellow liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00002671 |
LogP: | 1.50720 |
Refractive Index: | 1.411 : 1.416 at 20 deg C |
Vapor Pressure: | 0.44 [mmHg] |
GHS Hazard Statement: | H314 (99.26%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021122055-A1 | Conductive nanocomposites which can be functionalized | 20191220 |
WO-2021123110-A1 | Semi-solid natural perfume | 20191220 |
EP-3839025-A1 | Cleaning product | 20191217 |
EP-3839028-A1 | Cleaning product | 20191217 |
US-2021179971-A1 | Cleaning product | 20191217 |
PMID | Publication Date | Title | Journal |
22519968 | 20120701 | Quorum sensing activity in Ophiostoma ulmi: effects of fusel oils and branched chain amino acids on yeast-mycelial dimorphism | Journal of applied microbiology |
22479594 | 20120101 | Olfactory sensitivity and odor structure-activity relationships for aliphatic carboxylic acids in CD-1 mice | PloS one |
22837701 | 20120101 | Aroma volatile compounds from two fresh pineapple varieties in China | International journal of molecular sciences |
21612932 | 20110615 | Deglycobleomycin A6 analogues modified in the methylvalerate moiety | Bioorganic & medicinal chemistry |
21047083 | 20101125 | Rate enhancement of an interfacial biochemical reaction through localization of substrate and enzyme by an adaptor domain | The journal of physical chemistry. B |
Complexity: | 78.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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