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16-Hentriacontanone - >95.0%(GC), high purity , CAS No.502-73-8

COA

Grade & Purity:

≥95%(GC)

Cas Number: 502-73-8
Molecular Weight: 450.84
MDL number: MFCD00059222
PubChem CID: 94741
PubChem SID: 488186851

In stock

Item Number

H156946

Grouped product items
SKU	Size	Availability	Price
H156946-1g	1g	8	$13.90
H156946-5g	5g	4	$53.90
H156946-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$205.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID00198239 \| UNII-GR7I8IC3NO \| Palmitone \| D90862 \| Q27106854 \| Hentricontan-16-one \| NSC 953 \| Prestwick1_000311 \| AS-57185 \| Hentriacontan-16-one \| Dipentadecyl ketone \| Pentadecyl ketone \| 1,3-Benzenedicarboxamide, 4-methoxy-n1,n3-bis(3-pyridinylme
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Ketones
Alternative Parents	Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
External Descriptors	Oxygenated hydrocarbons
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	488186851
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186851
IUPAC Name	hentriacontan-16-one
INCHI	InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey	UNRFDARCMOHDBJ-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC
Molecular Weight	450.84
Reaxy-Rn	1802885
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1802885&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	82-86℃
Molecular Weight	450.800 g/mol
XLogP3	14.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	28
Exact Mass	450.48 Da
Monoisotopic Mass	450.48 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	316.000
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

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