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Methyl 3-Methyl-15-phenylpentadecanoate - >95.0%(GC), high purity , CAS No.88336-88-3

COA

Grade & Purity:

≥95%

Cas Number: 88336-88-3
Molecular Weight: 346.56
MDL number: MFCD04038423
PubChem CID: 13171669

In stock

Item Number

M157930

Grouped product items
SKU	Size	Availability	Price
M157930-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M157930-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
M157930-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	Methyl3-Methyl-15-phenylpentadecanoate \| 3-Methyl-15-phenylpentadecanoic Acid Methyl Ester \| AS-68406 \| M1407 \| beta-Methylbenzenepentadecanoic Acid Methyl Ester \| D91497 \| MFCD04038423 \| Methyl 3-Methyl-15-phenylpentadecanoate \| DTXSID70524526 \| Benzenep
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid methyl esters
Alternative Parents	Benzene and substituted derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fatty acid methyl ester - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
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	methyl 3-methyl-15-phenylpentadecanoate
INCHI	InChI=1S/C23H38O2/c1-21(20-23(24)25-2)16-12-9-7-5-3-4-6-8-10-13-17-22-18-14-11-15-19-22/h11,14-15,18-19,21H,3-10,12-13,16-17,20H2,1-2H3
InChIKey	JPSAJPNKLSJSSO-UHFFFAOYSA-N
Smiles	CC(CCCCCCCCCCCCC1=CC=CC=C1)CC(=O)OC
Isomeric SMILES	CC(CCCCCCCCCCCCC1=CC=CC=C1)CC(=O)OC
Molecular Weight	346.56
Reaxy-Rn	4499867
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4499867&ln=

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

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Lot Number	Certificate Type	Date	Item
K2401722	Certificate of Analysis	May 16, 2024	M157930

Chemical and Physical Properties

Refractive Index	1.48
Boil Point(°C)	205°C/0.3mmHg
Molecular Weight	346.500 g/mol
XLogP3	8.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	346.287 Da
Monoisotopic Mass	346.287 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	307.000
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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