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4-(Hydroxymethyl)phenyl pivalate - ≥95%, high purity , CAS No.59012-91-8

COA

Grade & Purity:

≥95%

Cas Number: 59012-91-8
Molecular Weight: 208.25
EC Number: 811-757-9
PubChem CID: 11600913

In stock

Item Number

P726138

Grouped product items
SKU	Size	Availability	Price	Qty
P726138-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$251.90
P726138-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$503.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol esters
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol esters
Alternative Parents	Phenoxy compounds Benzyl alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenol ester - Phenoxy compound - Benzyl alcohol - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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	[4-(hydroxymethyl)phenyl] 2,2-dimethylpropanoate
INCHI	InChI=1S/C12H16O3/c1-12(2,3)11(14)15-10-6-4-9(8-13)5-7-10/h4-7,13H,8H2,1-3H3
InChIKey	AYTDWGYFYZIASM-UHFFFAOYSA-N
Smiles	CC(C)(C)C(=O)OC1=CC=C(C=C1)CO
Isomeric SMILES	CC(C)(C)C(=O)OC1=CC=C(C=C1)CO
Alternate CAS	59012-91-8
PubChem CID	11600913
Molecular Weight	208.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	208.250 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	208.11 Da
Monoisotopic Mass	208.11 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	209.000
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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