Name
4-Methylguaiacol
CAS
93-51-6
HMDB ID
Synonyms
1-Hydroxy-2-methoxy-4-methylbenzene
2-Hydroxy-5-methylanisole
2-Methoxy-4-cresol
2-Methoxy-4-methyl-Phenol
2-Methoxy-4-methylphenol (4-methylguaiacol)
2-Methoxy-4-methylphenol (creosol)
2-Methoxy-4-methylphenol, 9CI
2-Methoxy-p-Cresol
2-Methoxy-p-cresol
3-Methoxy-4-hydroxytoluene
3-Methoxy-4-methyl-Phenol
4-Hydroxy-3-methoxy-1-methylbenzene
4-Hydroxy-3-methoxytoluene
4-Methyl guaiacol
4-Methyl-2-methoxyphenol
4-Methyl-2-methoxyphenol (4-methylguaiacol)
4-Methylguaiacol
5-Methylguaiacol
Creosol
Cresolum drudum
FEMA 2671
Homocatechol methyl ester
Homocatechol monomethyl ether
Homoguaiacol
Kreosol
P-Creosol
P-Methylguaiacol
P-Methylguaicol
Phenol, 4-methyl-2-methoxy
Rohkcrsol
Valspice
Molecular formula
C8H10O2
Average molecular weight
138.16
Monoisotopic mass of parent ion
138.0681
Verified Purity
>99.99
Solubility
N/A
Spectra
Chromatogram
Find the volume
mg
g/mol
mM
Find the weight
mM
g/mol
mL
Find the concentration
g/mol
mL
mg
(%)
Chloroform
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
MeOH
(%)
(%)
H2O
100
80
60
40
20
0
0
20
40
60
80
100
DMSO
(%)
H2O (pH)
9
8
7
6
5
4
3
Information
Version
5.0
Status
Detected and Quantified
HMDB Name
2-Methoxy-4-methylphenol
Structure
SMILES
COC1=C(O)C=CC(C)=C1
Description
2-Methoxy-4-methylphenol, also known as 4-methylguaiacol or creosol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Creosol reacts with hydrogen halides to give a catechol. Compared with phenol, creosol is a less toxic disinfectant. It is one of the components of creosote. 2-Methoxy-4-methylphenol is a bacon, bitter, and carnation tasting compound. 2-Methoxy-4-methylphenol has been detected, but not quantified, in several different foods, such as red bell peppers, green bell peppers, orange bell peppers, corns, and pepper (c. annuum). Sources of creosol include: Coal tar, creosote Wood, creosoteReduction product of vanillin using zinc powder in strong hydrochloric acidFound as glycosides in green vanilla beans. It is also found in tequila.
Physical Properties
State
Liquid
Experimental Properties
Property
Value
Reference
Melting Point
5.5 °C
Boiling Point
221.00 to 222.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Water Solubility
2093.0 mg/L @ 25 °C (est)
The Good Scents Company Information System
LogP
1.925 (est)
The Good Scents Company Information System
Biological Properties
Cellular Locations
Cytoplasm
Extracellular
Biospecimen Locations
Feces
Tissue Locations
N/A
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
None available
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Feces
Detected but not Quantified
Adult (>18 years old)
Both
Clostridium difficile infection
Spectra
Type
Description
View
Predicted GC-MS
splash10-0079-2900000000-15a46b79f8391d6c6966
Predicted GC-MS
splash10-0072-5910000000-30cf6b8fe2b454aa0a7f
Predicted GC-MS
Predicted GC-MS
Predicted LC-MS/MS
splash10-000i-0900000000-d79622f054761511961f
Predicted LC-MS/MS
splash10-000i-1900000000-186bb7a1a13b13310f72
Predicted LC-MS/MS
splash10-1000-9300000000-8f2b34f63ad1fd835b6e
Predicted LC-MS/MS
splash10-000i-0900000000-df50a00e5dc8e9a1f2ec
Predicted LC-MS/MS
splash10-000i-0900000000-41c1e559c847063fb1e4
Predicted LC-MS/MS
splash10-05fr-9600000000-7e3c4dbc7d1fd009db5b
Predicted LC-MS/MS
splash10-0a4i-1900000000-3649f7c79a19e4bc82a9
Predicted LC-MS/MS
splash10-0ar0-9500000000-1a0f4d510ef798661ce1
Predicted LC-MS/MS
splash10-014i-9000000000-fab9fd9e596db561d31e
Predicted LC-MS/MS
splash10-000i-0900000000-08ef9d705ca98ce39abf
Predicted LC-MS/MS
splash10-00dr-2900000000-09cc2771d42e461513a0
Predicted LC-MS/MS
splash10-014l-9000000000-7718ec98bccb51b6db7a
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available