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cis-13-Docosenol - >98.0%(GC), high purity , CAS No.629-98-1

COA

Grade & Purity:

≥98%(GC)

Cas Number: 629-98-1
Molecular Weight: 324.59
MDL number: MFCD00055936
PubChem CID: 5354168
PubChem SID: 488195392

In stock

Item Number

C154114

Grouped product items
SKU	Size	Availability	Price
C154114-250mg	250mg	5	$9.90
C154114-1g	1g	4	$25.90
C154114-5g	5g	2	$74.90

View related series

Fatty acyl (130) Other Lipid (133) Oxygenated compounds (806)

Basic Description

Synonyms	1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- \| T71154 \| NSC 2311 \| Erucyl alcohol \| 13-Docosen-1-ol, (Z)- \| 13-Docosen-1-ol, (13Z)- \| Mertect \| DTXSID701026591 \| NSC-2311 \| thiosalicylate \| (13Z)-13-Docosen-1-ol # \| (13Z)-docosenol \| cis-13-docosen-1-ol
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

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	Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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	long-chain primary fatty alcohol - fatty alcohol 22:1
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	488195392
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195392
IUPAC Name	(Z)-docos-13-en-1-ol
INCHI	InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKey	CFOQKXQWGLAKSK-KTKRTIGZSA-N
Smiles	CCCCCCCCC=CCCCCCCCCCCCCO
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCCCCCCO
Molecular Weight	324.59
Reaxy-Rn	1727026
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727026&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Air sensitive;Light sensitive
Boil Point(°C)	225 °C
Melt Point(°C)	33 °C
Molecular Weight	324.600 g/mol
XLogP3	9.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	19
Exact Mass	324.339 Da
Monoisotopic Mass	324.339 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	222.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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