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2-tert-Butyl-4-methylphenol - 99%, high purity , CAS No.2409-55-4

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2-tert-Butyl-4-methylphenol - 99%, high purity , CAS No.2409-55-4

6 Citations

COA

Grade & Purity:

≥99%

Cas Number: 2409-55-4
Molecular Weight: 164.24
Beilstein Registry Number: 1817645
EC Number: 219-314-6
MDL number: MFCD00002381
PubChem CID: 17004

In stock

Item Number

B108650

Grouped product items
SKU	Size	Availability	Price
B108650-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$22.90
B108650-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$82.90
B108650-500g	500g	2	$369.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	2-tert-Butyl-4-cresol \| FT-0613429 \| NSC60301 \| NSC-60301 \| EINECS 247-108-6 \| DTXCID00212 \| Tox21_201938 \| 2-T-BUTYL-4-METHYLPHENOL [HSDB] \| BUTYL-4-METHYLPHENOL, 2-TERT- \| 2-Terc.butyl-p-kresol \| 4-Methyl-6-t-butylphenol \| F0001-0824 \| mono-tert-butyl-p
Specifications & Purity	≥99%
Storage Temp	Argon charged
Shipped In	Normal

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	Para cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 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	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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

IUPAC Name	2-tert-butyl-4-methylphenol
INCHI	InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
InChIKey	IKEHOXWJQXIQAG-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)O)C(C)(C)C
Isomeric SMILES	CC1=CC(=C(C=C1)O)C(C)(C)C
WGK Germany	2
RTECS	GO7000000
UN Number	2811
Molecular Weight	164.24
Beilstein	1817645
Reaxy-Rn	1817645
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817645&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.

8 results found

Lot Number	Certificate Type	Date	Item
K2222319	Certificate of Analysis	Aug 23, 2024	B108650
K2222316	Certificate of Analysis	Aug 23, 2024	B108650
I2419097	Certificate of Analysis	Jun 18, 2024	B108650
I2419096	Certificate of Analysis	Jun 18, 2024	B108650
I2222560	Certificate of Analysis	Jun 04, 2024	B108650
E2227242	Certificate of Analysis	Mar 19, 2024	B108650
E2227236	Certificate of Analysis	Mar 19, 2024	B108650
L1923063	Certificate of Analysis	Jul 14, 2023	B108650

Chemical and Physical Properties

Sensitivity	light sensitive; air sensitive;Moisture sensitive
Refractive Index	1.4963
Flash Point(°F)	212 °F
Flash Point(°C)	100 °C
Boil Point(°C)	232.7°C
Melt Point(°C)	52°C
Molecular Weight	164.240 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	146.000
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

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