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2-Ethyl-6-methylphenol

CAT: 0804-HY-W089538-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W089538-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Ethyl-6-methylphenol, an alkylphenol, is isolated form the tumorigenic neutral subfraction of cigarette smoke condensate. 2-Ethyl-6-methylphenol exhibits insecticidal and bactericidal activities[1][2].
CAS Number
1687-64-5
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/2-ethyl-6-methylphenol.html
Purity
99.37
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=C(C)C=CC=C1CC
Molecular Formula
C9H12O
Molecular Weight
136.19
Precautions
H315, H319, H335
References & Citations
[1]Miller RL, et, al. Alkylphenols and arylnitriles in a biologically active neutral subfraction of cigarette smoke condensate. Phytochemistry. 1971 May; 10 (5) : 1135-1140.|[2]Bedmutha R, et, al. Insecticidal and bactericidal characteristics of the bio-oil from the fast pyrolysis of coffee grounds. Journal of Analytical and Applied Pyrolysis. 2011 Mar; 90 (2) : 224-231.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-Ethyl-6-methylphenol

6-Ethyl-o-cresol is a hydroxytoluene.

CAS Number1687-64-5
PubChem CID519333
IUPAC Name2-ethyl-6-methylphenol
Molecular FormulaC9H12O
Molecular Weight136.19
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
CCC1=CC=CC(=C1O)C
InChI
InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
InChIKey
CIRRFAQIWQFQSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-6-methylphenol
CAS: 1687-64-5
CID: 519333
Formula: C9H12O
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass136.088815002
Monoisotopic Mass136.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
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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