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Butyl valerate - Standard for GC, ≥99.5% (GC), high purity , CAS No.591-68-4

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Butyl valerate - Standard for GC, ≥99.5% (GC), high purity , CAS No.591-68-4

1 Citations

COA

Grade & Purity:

Standard for GC

≥99.5%(GC)

Cas Number: 591-68-4
Molecular Weight: 158.24
EC Number: 209-728-5
MDL number: MFCD00015258
PubChem CID: 61137

In stock

Item Number

B112311

Grouped product items
SKU	Size	Availability	Price
B112311-5ml	5ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$163.90
B112311-25ml	25ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$434.90
B112311-50ml	50ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$767.90

Basic Description

Synonyms	Butyl valerate \| Butyl pentanoate \| 591-68-4 \| PENTANOIC ACID, BUTYL ESTER \| Valeric acid, butyl ester \| Butyl valerianate \| n-BUTYL VALERATE \| n-butyl pentanoate \| BUTYLVALERATE \| Pentanoic acid butyl ester \| FEMA No. 2217 \| F93Z6CCM06 \| CHEBI:89761 \| Valeric Acid Butyl Ester \| UNI
Specifications & Purity	Standard for GC, ≥99.5%(GC)
Storage Temp	Desiccated
Shipped In	Normal
Grade	Standard for GC

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

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	butyl pentanoate
INCHI	InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChIKey	OKJADYKTJJGKDX-UHFFFAOYSA-N
Smiles	CCCCC(=O)OCCCC
Isomeric SMILES	CCCCC(=O)OCCCC
WGK Germany	3
Molecular Weight	158.24
Reaxy-Rn	1752236
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752236&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
B2310558	Certificate of Analysis	Nov 20, 2024	B112311
B2311034	Certificate of Analysis	Nov 20, 2024	B112311
B2310994	Certificate of Analysis	Nov 20, 2024	B112311
H1824113	Certificate of Analysis	May 07, 2022	B112311

Chemical and Physical Properties

Solubility	Insoluble in water, soluble in alcohol and ether.
Refractive Index	1.4128
Flash Point(°F)	67 °C
Flash Point(°C)	67°C
Boil Point(°C)	186-187°C
Melt Point(°C)	-92.8°C
Molecular Weight	158.240 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	158.131 Da
Monoisotopic Mass	158.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	99.700
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

How to Cite Aladdin Scientific Products?

1. Xiaoman Gong, Yi Shen. (2022) Electrochemical conversion of valeric acid on carbon-based materials. INTERNATIONAL JOURNAL OF ENERGY RESEARCH, 46 (15): (23551-23563).

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