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2-Ethyl-5-methylphenol

CAT: 0804-HY-W167708-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W167708-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Ethyl-5-methylphenol is an aromatic compound that can be detected in breakfast cereals, cereals and grain products[1].
CAS Number
1687-61-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-ethyl-5-methylphenol.html
Solubility
10 mM in DMSO
Smiles
CCC1=C(C=C(C)C=C1)O
Molecular Formula
C9H12O
Molecular Weight
136.19
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Wilkins CK, et al. Volatile metabolites of some barley storage molds. Int J Food Microbiol. 1989 Feb;8 (1) :11-7.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Ethyl-5-methylphenol

2-Ethyl-5-methylphenol is a hydroxytoluene.

CAS Number1687-61-2
PubChem CID15523
IUPAC Name2-ethyl-5-methylphenol
Molecular FormulaC9H12O
Molecular Weight136.19
XLogP2.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
CCC1=C(C=C(C=C1)C)O
InChI
InChI=1S/C9H12O/c1-3-8-5-4-7(2)6-9(8)10/h4-6,10H,3H2,1-2H3
InChIKey
LTRVUFFOMIUCPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-5-methylphenol
CAS: 1687-61-2
CID: 15523
Formula: C9H12O
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP32.8
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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