3-Methylvaleric acid - CAS 105-43-1
Catalog: |
BB001643 |
Product Name: |
3-Methylvaleric acid |
CAS: |
105-43-1 |
Synonyms: |
Pentanoic acid, 3-methyl-; Valeric acid, 3-methyl-; Valeric acid, β-methyl-; 3-Methyl-n-valeric acid; β-Methylvaleric acid |
Related CAS: | 22160-40-3 (Deleted CAS) 1730-92-3 (3S-isomer)
|
IUPAC Name: | 3-methylpentanoic acid |
Description: | 3-Methylvaleric acid (CAS# 105-43-1) is a useful research chemical. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | CCC(C)CC(=O)O |
InChI: | InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
InChI Key: | IGIDLTISMCAULB-UHFFFAOYSA-N |
Boiling Point: | 193-196°C |
Melting Point: | -41.6°C |
Purity: | ≥95% |
Density: | 0.9262 g/cm3 |
Solubility: | Soluble in Water (Slightly) |
Appearance: | Colorless liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00002729 |
LogP: | 1.50720 |
Refractive Index: | 1.412 : 1.422 at 20 deg C |
GHS Hazard Statement: | H314 (100%): 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-2021122744-A1 | Synthesis of amanin and its derivatives | 20191216 |
US-2021177046-A1 | Method and system for providing a heat-not-burn tobacco product | 20191213 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-2021169121-A1 | Liquid oral composition | 20191209 |
US-2021169122-A1 | Oral foam composition | 20191209 |
PMID | Publication Date | Title | Journal |
22479594 | 20120101 | Olfactory sensitivity and odor structure-activity relationships for aliphatic carboxylic acids in CD-1 mice | PloS one |
21067763 | 20101210 | Polydimethylsiloxane-based permeation passive air sampler. Part II: Effect of temperature and humidity on the calibration constants | Journal of chromatography. A |
17885925 | 20070101 | Deorphanization of Dresden G protein-coupled receptor for an odorant receptor | Journal of receptor and signal transduction research |
17083131 | 20060101 | Solid-phase microextraction method for carbon isotopic analysis of volatile carboxylic acids in human plasma by gas chromatography/combustion/isotope ratio mass spectrometry | Rapid communications in mass spectrometry : RCM |
15740052 | 20050309 | Identification of potent odorants in different cultivars of snake fruit [Salacca zalacca (Gaert.) Voss] using gas chromatography-olfactometry | Journal of agricultural and food chemistry |
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: | 1.6 |
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