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2-ISOPROPYLHYDROQUINONE , CAS No.2349-71-5

COA

Cas Number: 2349-71-5
Molecular Weight: 152.195
PubChem CID: 75370

In stock

Item Number

I168866

Grouped product items
SKU	Size	Availability	Price	Qty
I168866-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$410.90

Basic Description

Synonyms	2-Isopropylhydroquinone \| 2-isopropylbenzene-1,4-diol \| 2349-71-5 \| 2-propan-2-ylbenzene-1,4-diol \| 2-isopropyl-1,4-benzenediol \| 213K8IP95J \| NSC-168521 \| isopropylhydroquinone \| UNII-213K8IP95J \| 2-Isopropylquinol \| EINECS 219-080-5 \| NSC168521 \| 2,5-Dihydroxycumene \| Isopropylh
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Cumenes
Intermediate Tree Nodes	Not available
Direct Parent	Cumenes
Alternative Parents	Phenylpropanes Hydroquinones 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Cumene - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene 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

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-propan-2-ylbenzene-1,4-diol
INCHI	InChI=1S/C9H12O2/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,10-11H,1-2H3
InChIKey	HIGSPBFIOSHWQG-UHFFFAOYSA-N
Smiles	CC(C)C1=C(C=CC(=C1)O)O
Isomeric SMILES	CC(C)C1=C(C=CC(=C1)O)O
Molecular Weight	152.195
Reaxy-Rn	2043546
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043546&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	152.190 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	152.084 Da
Monoisotopic Mass	152.084 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	123.000
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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