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3,5-Di-tert-butyltoluene - 98%, high purity , CAS No.15181-11-0

COA

Grade & Purity:

≥98%

Cas Number: 15181-11-0
Molecular Weight: 204.36
Beilstein Registry Number: 5(4)1176
MDL number: MFCD00026300
PubChem CID: 84819
PubChem SID: 488186282

In stock

Item Number

D122463

Grouped product items
SKU	Size	Availability	Price
D122463-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$29.90
D122463-5ml	5ml	3	$21.90
D122463-25ml	25ml	9	$61.90
D122463-100ml	100ml	3	$222.90

View related series

aromatic hydrocarbon (251) Non heterocyclic block (8163)

Basic Description

Synonyms	A884063 \| Benzene, 1-methyl-3,5-bis-(1,1-dimethylethyl) \| 3,5-Bis(t-butyl)-1-methylbenzene \| 3,5-Di-t-butyltoluene \| 1,3-di-(t-C4H9)-5-CH3-C6H3 \| Benzene, 1,3-bis(1,1-dimethylethyl)-5-methyl- \| EINECS 239-230-3 \| Benzene,1,3-bis(1,1-dimethylethyl)-5-methy
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	3,5-Di-tert-butyltoluene was used in the synthesis of 3,5-di-tert-butyl(bromomethyl)benzene. It was also used in the synthesis of di-tert-butylbenzoic acid.

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	Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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	488186282
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186282
IUPAC Name	1,3-ditert-butyl-5-methylbenzene
INCHI	InChI=1S/C15H24/c1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7/h8-10H,1-7H3
InChIKey	WIXDSJRJFDWTNY-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
Isomeric SMILES	CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
WGK Germany	3
Molecular Weight	204.36
Beilstein	5(4)1176
Reaxy-Rn	2043032
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043032&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
G2418643	Certificate of Analysis	Jun 12, 2024	D122463
F2218146	Certificate of Analysis	May 31, 2022	D122463
F2218139	Certificate of Analysis	May 31, 2022	D122463
F2218140	Certificate of Analysis	May 31, 2022	D122463

Chemical and Physical Properties

Solubility	Soluble in Methanol
Refractive Index	1.49
Flash Point(°F)	195.8 °F
Flash Point(°C)	91°(195°F)
Boil Point(°C)	244°C
Melt Point(°C)	31-32°C
Molecular Weight	204.350 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	204.188 Da
Monoisotopic Mass	204.188 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	179.000
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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