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3-Hydroxy sebacic acid - 97%, high purity , CAS No.73141-46-5

COA

Grade & Purity:

≥97%

Cas Number: 73141-46-5
Molecular Weight: 218.25
PubChem CID: 3017884

In stock

Item Number

H351088

Grouped product items
SKU	Size	Availability	Price	Qty
H351088-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$158.90
H351088-10mg	10mg	2	$285.90

a fatty acid derivative

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Metabolite (5307)

Basic Description

Synonyms	Decanedioic acid,3-hydroxy- \| FT-0738477 \| DTXSID80867719 \| 3-Hydroxysebacate \| Hydroxysebacic acid \| AKOS028114750 \| UNII-6X0JEZ4U1Y \| SCHEMBL2269706 \| LMFA01170092 \| 3-Hydroxydecanedioic acid \| 3-hydroxy-decanedioic acid \| 6X0JEZ4U1Y \| Q27161368 \| 3-Hyd
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	3-Hydroxy sebacic acid is a dicarboxylic secondary alcohol fatty acid derivative that is present in urine as a 3-hydroxydicarboxylic acid metabolite.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Hydroxy acids and derivatives
Subclass	Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Medium-chain hydroxy acids and derivatives
Alternative Parents	Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors	Dicarboxylic acids
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	3-hydroxydecanedioic acid
INCHI	InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
InChIKey	OQYZCCKCJQWHIE-UHFFFAOYSA-N
Smiles	C(CCCC(=O)O)CCC(CC(=O)O)O
Isomeric SMILES	C(CCCC(=O)O)CCC(CC(=O)O)O
Molecular Weight	218.25
Reaxy-Rn	10676440
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10676440&ln=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
B2311074	Certificate of Analysis	Feb 03, 2023	H351088

Chemical and Physical Properties

Refractive Index	n20D1.50 (Predicted)
Boil Point(°C)	~426.6° C at 760 mmHg (Predicted)
Melt Point(°C)	151.80° C (Predicted)
Molecular Weight	218.250 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	218.115 Da
Monoisotopic Mass	218.115 Da
Topological Polar Surface Area	94.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	202.000
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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