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3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid - 98%, high purity , CAS No.20170-32-5

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3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid - 98%, high purity , CAS No.20170-32-5

5 Citations

COA

Grade & Purity:

≥98%

Cas Number: 20170-32-5
Molecular Weight: 278.4
EC Number: 243-556-1
MDL number: MFCD00017519
PubChem CID: 88389
PubChem SID: 488186492

In stock

Item Number

D124199

Grouped product items
SKU	Size	Availability	Price
D124199-5g	5g	10	$17.90
D124199-25g	25g	6	$67.90
D124199-100g	100g	1	$242.90
D124199-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,092.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	AKOS001049428 \| 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid \| 3-(3,5-Ditertbutyl-4-hydroxyphenyl)propionic acid \| 3(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid \| 3-(4-hydroxy-3,5-di-tert.-butylphenyl)-propionic acid \| SMR000283639 \| W-107641
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Application： It is employed as an active pharmaceutical intermediate.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Phenylpropanoic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Phenylpropanoic acids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanoic acids
Alternative Parents	Phenylpropanes Phenols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-phenylpropanoic-acid - Phenylpropane - Phenol - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - 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 phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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	488186492
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186492
IUPAC Name	3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
INCHI	InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)
InChIKey	WPMYUUITDBHVQZ-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O
Molecular Weight	278.4
Reaxy-Rn	2218674
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2218674&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.

13 results found

Lot Number	Certificate Type	Date	Item
H2322216	Certificate of Analysis	Aug 04, 2023	D124199
H2322217	Certificate of Analysis	Aug 04, 2023	D124199
H2322222	Certificate of Analysis	Aug 04, 2023	D124199
B2320311	Certificate of Analysis	Jan 07, 2023	D124199
B2320116	Certificate of Analysis	Jan 07, 2023	D124199
B2320111	Certificate of Analysis	Jan 07, 2023	D124199
B2320360	Certificate of Analysis	Jan 07, 2023	D124199
B2320334	Certificate of Analysis	Jan 07, 2023	D124199
B2320325	Certificate of Analysis	Jan 07, 2023	D124199
I2209417	Certificate of Analysis	Aug 05, 2022	D124199
I2209418	Certificate of Analysis	Aug 05, 2022	D124199
I2209419	Certificate of Analysis	Aug 05, 2022	D124199
I2209432	Certificate of Analysis	Aug 05, 2022	D124199

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Chemical and Physical Properties

Solubility	Slightly soluble in water.
Melt Point(°C)	173°C
Molecular Weight	278.400 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	278.188 Da
Monoisotopic Mass	278.188 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	311.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jinfen Lou, Min He, Yufei Liu, Kai Zhang, Lulu He, Shuhao Qin, Jie Yu. (2024) The antioxidant mechanism of hindered phenolic antioxidants bonded with para bridge groups in PA6. POLYMER, 290 (126553).
2. Siyuan Jiang, Yufei Liu, Xiaoyu Zou, Min He, Kai Zhang, Guomin Xu, Shuhao Qin. (2021) Synthesis and application of new macromolecular hindered phenol antioxidants of polyamide 6. JOURNAL OF APPLIED POLYMER SCIENCE, 138 (40): (51184).
3. Wenxin Han, Jianjun Lu, Jingyi Ren, Dandan Lian, Junde Xing. (2019) Preparation of nano-SiO2 compound antioxidant and its antioxidant effect on polyphenylene sulfide. JOURNAL OF POLYMER ENGINEERING, 39 (6): (556-564).
4. Weilong Cai, Jian You, Wei Wang, Huaiyin Chen, Longmin Liu, Yuhan Ma, Jianying Huang, Yuying Zheng, Yuekun Lai. (2024) Double-hindered phenolic SiO2 composites with excellent oxidation resistance and thermal stability for enhanced thermal oxidation stability of PPS. CHEMICAL ENGINEERING JOURNAL, 487 (150662).
5. Lulu He, Jinfen Lou, Xiang Nie, Min He, Qiao Fan, Jifei Yang, Yufei Liu, Shuhao Qin, Jie Yu. (2024) Highly enhanced toughness and thermal oxygen aging resistance of PA 6 via novel designed macromolecular antioxidants. POLYMER, 312 (127614).

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