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Methyl 3-hydroxyoctanoate - ≥98%, high purity , CAS No.85549-54-8

COA

Grade & Purity:

≥98%

Cas Number: 85549-54-8
Molecular Weight: 174.24
PubChem CID: 110974
PubChem SID: 504756679

In stock

Item Number

M275874

Grouped product items
SKU	Size	Availability	Price
M275874-25mg	25mg	3	$199.90
M275874-100mg	100mg	3	$718.90
M275874-250mg	250mg	3	$1,615.90
M275874-1g	1g	2	$5,817.90

3-Hydroxyoctanoic acid derivative. Polyester.

Basic Description

Synonyms	DTXSID70276098 \| DL-B-HYDROXYCAPRYLIC ACID METHYL ESTER \| Methyl 3-hydroxyoctanoate \| 3-Hydroxy C8:0 methyl ester \| Octanoic acid, 3-hydroxy-, methyl ester \| AKOS006271868 \| UQU7C4XEV7 \| SS-4994 \| UNII-UQU7C4XEV7 \| METHYL 3-HYDROXYCAPRYLATE \| EINECS 230-9
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	3-Hydroxyoctanoic acid derivative. Polyester. Medium-chain-length 3-hydroxyalkanoate.
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Fatty alcohols
Alternative Parents	Fatty acid methyl esters Beta hydroxy acids and derivatives Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol - Beta-hydroxy acid - Fatty acid ester - Fatty acid methyl ester - Hydroxy acid - Methyl ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
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

Pubchem Sid	504756679
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756679
IUPAC Name	methyl 3-hydroxyoctanoate
INCHI	InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKey	FHWBTAQRRDZDIY-UHFFFAOYSA-N
Smiles	CCCCCC(CC(=O)OC)O
Isomeric SMILES	CCCCCC(CC(=O)OC)O
Molecular Weight	174.24
Reaxy-Rn	1722867
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722867&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
G2213145	Certificate of Analysis	Apr 18, 2023	M275874
G2213051	Certificate of Analysis	Apr 18, 2023	M275874
G2213053	Certificate of Analysis	Apr 18, 2023	M275874
G2213052	Certificate of Analysis	Apr 18, 2023	M275874

Chemical and Physical Properties

Solubility	Soluble in ethanol
Molecular Weight	174.240 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	174.126 Da
Monoisotopic Mass	174.126 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	123.000
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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