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4-sec-Butyl-2,6-di-tert-butylphenol - >98.0%(GC), high purity , CAS No.17540-75-9

COA

Grade & Purity:

≥98%(GC)

Cas Number: 17540-75-9
Molecular Weight: 262.44
Beilstein Registry Number: 6(4)3539
PubChem CID: 86583
PubChem SID: 488186362

In stock

Item Number

S161064

Grouped product items
SKU	Size	Availability	Price
S161064-5g	5g	9	$9.90
S161064-25g	25g	3	$12.90
S161064-100g	100g	4	$33.90
S161064-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$230.90

View related series

Non heterocyclic block (8163) phenol (506)

Basic Description

Synonyms	NCGC00258615-01 \| DTXCID809315 \| NSC14460 \| NSC-14460 \| TYL476W27Y \| UNII-TYL476W27Y \| 2-[tert-butyl(dimethyl)silyl]oxyethanamine \| Tox21_201062 \| CAS-17540-75-9 \| Carvacrol ethyl ether \| NSC 14460 \| Q27290486 \| 2,6-Di-tert-butyl-4-sec-butylphenol \| AKOS0
Specifications & Purity	≥98%(GC)
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 Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - 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

Names and Identifiers

Pubchem Sid	488186362
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186362
IUPAC Name	4-butan-2-yl-2,6-ditert-butylphenol
INCHI	InChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
InChIKey	BFZOTKYPSZSDEV-UHFFFAOYSA-N
Smiles	CCC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Isomeric SMILES	CCC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
WGK Germany	3
Molecular Weight	262.44
Beilstein	6(4)3539
Reaxy-Rn	1970270

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
L2301398	Certificate of Analysis	Nov 21, 2023	S161064
L2301399	Certificate of Analysis	Nov 21, 2023	S161064
L2301400	Certificate of Analysis	Nov 21, 2023	S161064
L2301397	Certificate of Analysis	Nov 21, 2023	S161064
L1825043	Certificate of Analysis	Oct 18, 2022	S161064
D23261068	Certificate of Analysis	Dec 09, 2021	S161064

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Refractive Index	1.5
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	141-142 °C
Melt Point(°C)	25°C
Molecular Weight	262.400 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	262.23 Da
Monoisotopic Mass	262.23 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	257.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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