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(S)-2-Hydroxy-4-phenylbutyric Acid - >98.0%(GC)(T), high purity , CAS No.115016-95-0

COA

Grade & Purity:

≥98%

Cas Number: 115016-95-0
Molecular Weight: 180.2
PubChem CID: 11159656
PubChem SID: 488197234

In stock

Item Number

S161363

Grouped product items
SKU	Size	Availability	Price
S161363-1g	1g	2	$42.90
S161363-5g	5g	2	$195.90
S161363-10g	10g	1	$315.90
S161363-25g	25g	1	$647.90
S161363-100g	100g	1	$2,330.90

Discover (S)-2-Hydroxy-4-phenylbutyric Acid by Aladdin Scientific in >98.0%(GC)(T) for only $42.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	(S)-2-Hydroxy-4-phenylbutyric Acid \| 115016-95-0 \| (2S)-2-hydroxy-4-phenylbutanoic acid \| (s)-2-hydroxy-4-phenylbutanoic acid \| AYZ4KJ5LJN \| UNII-AYZ4KJ5LJN \| Benzenebutanoic acid, alpha-hydroxy-, (alphaS)- \| S(+)-2-hydroxy-4-phenylButyric Acid \| 2-Hydroxy-4-phenylbutyri
Specifications & Purity	≥98%
Shipped In	Normal

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	Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monosaccharide - Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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	488197234
IUPAC Name	(2S)-2-hydroxy-4-phenylbutanoic acid
INCHI	InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)/t9-/m0/s1
InChIKey	JNJCEALGCZSIGB-VIFPVBQESA-N
Smiles	C1=CC=C(C=C1)CCC(C(=O)O)O
Isomeric SMILES	C1=CC=C(C=C1)CC[C@@H](C(=O)O)O
PubChem CID	11159656
Molecular Weight	180.2
Reaxy-Rn	3201295

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
C23031243	Certificate of Analysis	Oct 13, 2022	S161363
C23031239	Certificate of Analysis	Oct 13, 2022	S161363
C23031158	Certificate of Analysis	Oct 13, 2022	S161363
C23031147	Certificate of Analysis	Oct 13, 2022	S161363
C23031157	Certificate of Analysis	Oct 13, 2022	S161363
C23031261	Certificate of Analysis	Oct 13, 2022	S161363
C23031277	Certificate of Analysis	Oct 13, 2022	S161363
C23031149	Certificate of Analysis	Oct 13, 2022	S161363
C23031152	Certificate of Analysis	Oct 13, 2022	S161363
C23031146	Certificate of Analysis	Oct 13, 2022	S161363

Chemical and Physical Properties

Molecular Weight	180.200 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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