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3-hydroxy-2，2-bis(hydroxymethyl)propyl 3-(3，5-di-tert-butyl-4-hydroxyphenyl)propanoate - ≥95%, high purity , CAS No.26347-98-8

COA

Grade & Purity:

≥95%

Cas Number: 26347-98-8
Molecular Weight: 396.520
MDL number: MFCD32206581
PubChem CID: 19784609

In stock

Item Number

H769135

Grouped product items
SKU	Size	Availability	Price	Qty
H769135-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$229.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Phenols Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Phenol - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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

INCHI	InChI=1S/C22H36O6/c1-20(2,3)16-9-15(10-17(19(16)27)21(4,5)6)7-8-18(26)28-14-22(11-23,12-24)13-25/h9-10,23-25,27H,7-8,11-14H2,1-6H3
InChIKey	RQYISMPLEFNMLU-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(CO)(CO)CO
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(CO)(CO)CO
Molecular Weight	396.520

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	502.0±45.0°C
Molecular Weight	396.500 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	396.251 Da
Monoisotopic Mass	396.251 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	454.000
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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