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Methyl 3-hydroxyhexanoate - ≥98%, high purity , CAS No.21188-58-9

COA

Grade & Purity:

≥98%

Cas Number: 21188-58-9
Molecular Weight: 146.18
MDL number: MFCD00083583
PubChem CID: 519845

In stock

Item Number

M769984

Grouped product items
SKU	Size	Availability	Price
M769984-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
M769984-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
M769984-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$189.90

View related series

Fatty chain compounds (194)

Basic Description

Synonyms	Pineapple hydroxyhexanoate \| 3-Hydroxyhexanoic Acid Methyl Ester \| Methyl beta-hydroxycaproate
Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal
Product Description	refractive index n20/D： 1.43 (lit.)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Hydroxy acids and derivatives
    - Subclass Beta hydroxy acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Hydroxy acids and derivatives
Subclass	Beta hydroxy acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Beta hydroxy acids and derivatives
Alternative Parents	Fatty acid methyl esters Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Beta-hydroxy acid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
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

Names and Identifiers

IUPAC Name	methyl 3-hydroxyhexanoate
INCHI	InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
InChIKey	ACCRBMDJCPPJDX-UHFFFAOYSA-N
Smiles	CCCC(CC(=O)OC)O
Isomeric SMILES	CCCC(CC(=O)OC)O
Molecular Weight	146.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	146.180 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	146.094 Da
Monoisotopic Mass	146.094 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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