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Sandalore - ≥90%,(isomeric mixture), high purity , CAS No.65113-99-7

COA

Grade & Purity:

≥90%,(isomeric mixture)

Cas Number: 65113-99-7
EC Number: 265-453-0
PubChem CID: 103212

In stock

Item Number

S695432

Grouped product items
SKU	Size	Availability	Price	Qty
S695432-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$136.90
S695432-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$736.90

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Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Monocyclic monoterpenoids
Alternative Parents	Secondary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Monocyclic monoterpenoid - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
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	3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol
INCHI	InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3
InChIKey	NGYMOTOXXHCHOC-UHFFFAOYSA-N
Smiles	CC1=CCC(C1(C)C)CCC(C)C(C)O
Isomeric SMILES	CC1=CCC(C1(C)C)CCC(C)C(C)O
Alternate CAS	65113-99-7
PubChem CID	103212
MeSH Entry Terms	3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol;pentamethylcyclopent-3-ene-butanol;Sandalore

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	210.360 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	210.198 Da
Monoisotopic Mass	210.198 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	240.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
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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