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4-tert-Amylphenol - 99%, high purity , CAS No.80-46-6

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4-tert-Amylphenol - 99%, high purity , CAS No.80-46-6

COA

Grade & Purity:

≥99%

Cas Number: 80-46-6
Molecular Weight: 164.25
Beilstein Registry Number: 6(4)3383
MDL number: MFCD00002369
PubChem CID: 6643
PubChem SID: 488180118

In stock

Item Number

T434881

Grouped product items
SKU	Size	Availability	Price
T434881-5g	5g	5	$20.90
T434881-25g	25g	4	$34.90
T434881-100g	100g	3	$67.90
T434881-500g	500g	2	$271.90

Basic Description

Synonyms	4-tert-Amylphenol \| 80-46-6 \| 4-tert-Pentylphenol \| p-tert-Pentylphenol \| p-tert-Amylphenol \| 4-t-Amylphenol \| Pentaphen \| 4-(1,1-DIMETHYLPROPYL)PHENOL \| 4-(2-methylbutan-2-yl)phenol \| Amilphenol \| Amilfenol \| Ptap \| Phenol, 4-(1,1-dimethylpropyl)- \| Amyl phenol 4T \| Phenol, p-tert-
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	Application： 4-tert-Amylphenol was used as an esterogen receptor (ER) ligand.

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	1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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	alkylbenzene
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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180118
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180118
IUPAC Name	4-(2-methylbutan-2-yl)phenol
INCHI	InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3
InChIKey	NRZWYNLTFLDQQX-UHFFFAOYSA-N
Smiles	CCC(C)(C)C1=CC=C(C=C1)O
Isomeric SMILES	CCC(C)(C)C1=CC=C(C=C1)O
WGK Germany	2
RTECS	SM6825000
PubChem CID	6643
UN Number	2430
Packing Group	I
Molecular Weight	164.25
Beilstein	6(4)3383
Reaxy-Rn	1908224

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.

7 results found

Lot Number	Certificate Type	Date	Item
L2215180	Certificate of Analysis	Nov 11, 2022	T434881
L2215141	Certificate of Analysis	Nov 11, 2022	T434881
L2215153	Certificate of Analysis	Nov 11, 2022	T434881
L2215149	Certificate of Analysis	Nov 11, 2022	T434881
A2305111	Certificate of Analysis	Nov 11, 2022	T434881
A2305126	Certificate of Analysis	Nov 11, 2022	T434881
L2215126	Certificate of Analysis	Nov 11, 2022	T434881

Chemical and Physical Properties

Boil Point(°C)	262 °C
Melt Point(°C)	93.0 - 97.0 °C
Molecular Weight	164.240 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	164.12 Da
Monoisotopic Mass	164.12 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132.000
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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