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4-Ethylcatechol

CAT: 0804-HY-W265757-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W265757-02Size:1 g
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Description
4-Ethylcatechol is a ring-dihydroxylated metabolite of 4-Ethylphenol that leads to oxidative DNA damage[1].
CAS Number
1124-39-6
UNSPSC
12352005
Hazard Statement
H302, H315, H318, H335
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/4-ethylcatechol.html
Purity
99.50
Solubility
DMSO : ≥ 100 mg/mL
Smiles
OC1=CC=C(CC)C=C1O
Molecular Formula
C8H10O2
Molecular Weight
138.17
Precautions
H302, H315, H318, H335
References & Citations
[1]Kaoru Midorikawa, et al. Metabolic activation of carcinogenic ethylbenzene leads to oxidative DNA damage. Chem Biol Interact. 2004 Dec 7;150 (3) :271-81.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Ethyl-1,2-benzenediol

4-Ethyl-1,2-benzenediol is a member of catechols.

CAS Number1124-39-6
PubChem CID70761
IUPAC Name4-ethylbenzene-1,2-diol
Molecular FormulaC8H10O2
Molecular Weight138.16
XLogP0.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity103
SMILES
CCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
InChIKey
HFLGBNBLMBSXEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethyl-1,2-benzenediol
CAS: 1124-39-6
CID: 70761
Formula: C8H10O2
MW: 138.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.16
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.068079557
Monoisotopic Mass138.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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