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Butyric acid - Analytical Reagent,99%, high purity , CAS No.107-92-6
Basic Description
Synonyms
GTPL1059 | butoic acid | Honey robber | propylformic acid | Tox21_300164 | BUTYRIC ACID [WHO-DD] | 1-propanecarboxylate | fattyacids | Kyselina maselna | BP-21420 | ethylacetic acid | 40UIR9Q29H | Butyric acid 1000 microg/mL in Acetonitrile | Butyric acid
Specifications & Purity
AR, ≥99%
Shipped In
Normal
Grade
AR
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Straight chain fatty acids
Alternative Parents
Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
External Descriptors
Straight chain fatty acids
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
butanoic acid
INCHI
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
FERIUCNNQQJTOY-UHFFFAOYSA-N
Smiles
CCCC(=O)O
Isomeric SMILES
CCCC(=O)O
WGK Germany
1
RTECS
ES5425000
UN Number
2820
Packing Group
III
Molecular Weight
88.11
Beilstein
2264
Reaxy-Rn
906770
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906770&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
It is miscible with water and can be mixed with ethanol and ether.
Sensitivity
Moisture sensitive.
Refractive Index
1.3965-1.3995
Flash Point(°F)
161 °F
Flash Point(°C)
72℃
Boil Point(°C)
162-165°C
Melt Point(°C)
-7--5°C
Molecular Weight
88.110 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
88.0524 Da
Monoisotopic Mass
88.0524 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
49.500
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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335 Citations
B2518156