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Amyl Phenylacetate - 97%, high purity , CAS No.5137-52-0

COA

Grade & Purity:

≥97%

Cas Number: 5137-52-0
Molecular Weight: 206.29
MDL number: MFCD00027272
PubChem CID: 98492
PubChem SID: 488187126

In stock

Item Number

A405612

Grouped product items
SKU	Size	Availability	Price
A405612-5ml	5ml	8	$68.90
A405612-25ml	25ml	6	$295.90
A405612-100ml	100ml	3	$961.90

Basic Description

Synonyms	Amylphenyl acetate \| pentyl 2-phenylacetate \| MFCD00027272 \| Bekantil \| 2-phenyl-acetic acid pentyl ester \| n-Amyl phenylacetate \| EINECS 225-895-7 \| Acetic acid, phenyl-, pentyl ester (8CI) \| Pentyl phenylacetate \| LRVLBFSVAFUOGO-UHFFFAOYSA-N \| Amyl phen
Specifications & Purity	≥97%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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

Pubchem Sid	488187126
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187126
IUPAC Name	pentyl 2-phenylacetate
INCHI	InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
InChIKey	LRVLBFSVAFUOGO-UHFFFAOYSA-N
Smiles	CCCCCOC(=O)CC1=CC=CC=C1
Isomeric SMILES	CCCCCOC(=O)CC1=CC=CC=C1
Molecular Weight	206.29
Reaxy-Rn	2503313
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2503313&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
K2215435	Certificate of Analysis	Aug 26, 2022	A405612
K2215436	Certificate of Analysis	Aug 26, 2022	A405612
K2215437	Certificate of Analysis	Aug 26, 2022	A405612
K2215438	Certificate of Analysis	Aug 26, 2022	A405612
K2215439	Certificate of Analysis	Aug 26, 2022	A405612
K2215499	Certificate of Analysis	Aug 26, 2022	A405612
A2329114	Certificate of Analysis	Aug 26, 2022	A405612
A2329118	Certificate of Analysis	Aug 26, 2022	A405612

Chemical and Physical Properties

Refractive Index	1.49
Flash Point(°C)	107 °C
Boil Point(°C)	269 °C
Molecular Weight	206.280 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	206.131 Da
Monoisotopic Mass	206.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	171.000
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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