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2-Tert-Butyl-1，4-Dim - ≥98%, high purity , CAS No.21112-37-8

COA

Grade & Purity:

≥98%

Cas Number: 21112-37-8
Molecular Weight: 194.27
PubChem CID: 88792

In stock

Item Number

T694987

Grouped product items
SKU	Size	Availability	Price	Qty
T694987-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$195.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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

IUPAC Name	2-tert-butyl-1,4-dimethoxybenzene
INCHI	InChI=1S/C12H18O2/c1-12(2,3)10-8-9(13-4)6-7-11(10)14-5/h6-8H,1-5H3
InChIKey	ALVJDUNBMKMTDC-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=C(C=CC(=C1)OC)OC
Isomeric SMILES	CC(C)(C)C1=C(C=CC(=C1)OC)OC
PubChem CID	88792
Molecular Weight	194.27

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	194.270 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	194.131 Da
Monoisotopic Mass	194.131 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172.000
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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2-Tert-Butyl-1，4-Dim - ≥98%, high purity , CAS No.21112-37-8

Basic Description