Name
4-Ethylguaiacol
CAS
2785-89-9
HMDB ID
Synonyms
1-Hydroxy-2-methoxy-4-ethylbenzene
2-Methoxy-4-ethylphenol
4-Ethyl guiacol
4-Ethyl-2-methoxy-Phenol
4-Ethyl-2-methoxyphenol
4-Ethyl-2-methoxyphenol (4-ethylguaiacol)
4-Ethyl-2-metoxy phenol
4-Ethyl-Guaiacol
4-Ethylguaiacol
4-Hydroxy-3-methoxy ethylbenzene
4-Hydroxy-3-methoxyethylbenzene
4-Hydroxy-3-methoxyphenylethane
Ethylguiacol (4-ethyl-2-methoxyphenol)
FEMA 2436
Guaiacol, 4-ethyl
Guaiacyl ethane
Homocresol
P-Ethylguaiacol
Phenol, 2-methoxy-4-ethyl
p-Ethyl-2-methoxyphenol
Molecular formula
C9H12O2
Average molecular weight
152.19
Monoisotopic mass of parent ion
152.0837
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
Predicted
HMDB Name
4-Ethyl-2-methoxyphenol
Structure
SMILES
CCC1=CC(OC)=C(O)C=C1
Description
4-Ethyl-2-methoxyphenol is found in arabica coffee. 4-Ethyl-2-methoxyphenol is a constituent of numerous plant species and cooked foods. 4-Ethyl-2-methoxyphenol is a flavouring agent.
Physical Properties
State
Liquid
Experimental Properties
Property
Value
Reference
Melting Point
-7 °C
Boiling Point
235.00 to 236.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Water Solubility
693.8 mg/L @ 25 °C (est)
The Good Scents Company Information System
LogP
2.434 (est)
The Good Scents Company Information System
Biological Properties
Cellular Locations
Cytoplasm
Extracellular
Biospecimen Locations
N/A
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
None available
Spectra
Type
Description
View
Predicted GC-MS
splash10-0fe0-1900000000-309cbcd4c3b5c618be96
Predicted GC-MS
splash10-05fr-7970000000-0c5781b2a64e9da81fc1
Predicted GC-MS
Predicted LC-MS/MS
splash10-0udi-0900000000-2a9371bb243c77e192e6
Predicted LC-MS/MS
splash10-0udi-1900000000-85d8006a41fe7e064e95
Predicted LC-MS/MS
splash10-0ufr-9200000000-22e200002e86f96c1187
Predicted LC-MS/MS
splash10-0udi-0900000000-0f4955d3a66c1c69cc27
Predicted LC-MS/MS
splash10-0udi-0900000000-acb830966ea966b2ef30
Predicted LC-MS/MS
splash10-0553-7900000000-03acff5e7f7c4a1400a3
Predicted LC-MS/MS
splash10-0uk9-0900000000-5da9cfbe875826c8990f
Predicted LC-MS/MS
splash10-0ufr-4900000000-a3c7ad0be273d13bb026
Predicted LC-MS/MS
splash10-0fvr-9000000000-81e6db59083c8f5d738f
Predicted LC-MS/MS
splash10-0udi-0900000000-3cd265ceef2fb5f5db20
Predicted LC-MS/MS
splash10-0udr-0900000000-037544de7548b6280b04
Predicted LC-MS/MS
splash10-054o-9300000000-ef78296cecf47c0a1643
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available