Benzene,5-(1,1-dimethylethyl)-1,2,3-trimethyl-

CAS
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Purity
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CAS
98-23-7
Size
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Purity
96%
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Catalog Number

ACM98237

Product Name

Benzene,5-(1,1-dimethylethyl)-1,2,3-trimethyl-

Structure

Structure

CAS

98-23-7

Category

Heterocyclic Organic Compound

Synonyms

5-tert-Butyl-1,2,3-trimethylbenzene, 5-t-Butyl-1,2,3-trimethylbenzene, EINECS 202-648-1, CID66811, 1-tert-Butyl-3,4,5-trimethylbenzene, FR-0286, Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl-, 98-23-7

IUPAC Name

5-tert-butyl-1,2,3-trimethylbenzene

Molecular Weight

176.3

Molecular Formula

C₁₃H₂₀

InChI Key

ZQVJKYPEIPJEIP-UHFFFAOYSA-N

Melting Point

31-33â„ƒ

Exact Mass

176.15700

H-Bond Acceptor

0

H-Bond Donor

0

Safety Description

24/25

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The molecular formula is C13H20.

What is the IUPAC name of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The IUPAC name is 5-tert-butyl-1,2,3-trimethylbenzene.

What is the InChI of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The InChI is InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3.

What is the InChIKey of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The InChIKey is ZQVJKYPEIPJEIP-UHFFFAOYSA-N.

What is the canonical SMILES of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The canonical SMILES is CC1=CC(=CC(=C1C)C)C(C)(C)C.

What is the molecular weight of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The molecular weight is 176.30 g/mol.

What is the CAS number of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The CAS number is 98-23-7.

What is the European Community (EC) number of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The EC number is 202-648-1.

What is the UNII of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?

The UNII is 36NBO9ZA2F.

Is Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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