Name
4-Ethylphenol
CAS
123-07-9
HMDB ID
Synonyms
1-Ethyl-4-hydroxybenzene
1-Hydroxy-4-ethylbenzene
4-Hydroxyphenylethane
p-Ethylphenol
Molecular formula
C8H10O
Average molecular weight
122.16
Monoisotopic mass of parent ion
122.0732
Verified Purity
>99.99
Solubility
N/A
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 but not Quantified
HMDB Name
4-Ethylphenol
Structure
SMILES
CCC1=CC=C(O)C=C1
Description
4-Ethylphenol belongs to the class of organic compounds known as 1-hydroxy-4-alkyl benzenoids. These are phenols that are substituted by an alkyl group at the para-position. 4-Ethylphenol exists in all living species, ranging from bacteria to humans. 4-Ethylphenol is an alcohol tasting compound. 4-Ethylphenol has been detected, but not quantified, in several different foods, such as arabica coffee, beers, corns, milk (cow), and red raspberries. 4-Ethylphenol is a potentially toxic compound, capable of producing respiratory distress, cardiovascular collapse, shock, ventricular tachycardia, and coma in an adult. Liver, lung, central nervous system and renal injury may also occur. In case of exposure to eyes, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. Monitor for respiratory distress in case of inhalation exposure. Systemic manifestations of toxicity may include nausea, vomiting, diarrhea, dyspnea, tachypnea, pallor, and profuse sweating.
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
44.00 to 46.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Boiling Point
218.00 to 219.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Water Solubility
2346.0 mg/L @ 25 °C (est)
The Good Scents Company Information System
LogP
2.580
The Good Scents Company Information System
Biological Properties
Cellular Locations
Membrane
Biospecimen Locations
Blood
Urine
Tissue Locations
N/A
Normal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
Blood
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 707
Blood
Detected and Quantified
1.975 +/- 0.639 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.484 +/- 0.232 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
2.2 +/- 0.626 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.58 +/- 0.272 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.408 +/- 0.166 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.221 +/- 0.119 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
1.414 +/- 0.247 uM
Adult (>18 years old)
Male
Normal
Blood
Detected and Quantified
19.555 +/- 18.35 uM
Adult (>18 years old)
Male
Normal
Urine
Expected but not Quantified
Consuming polyphenols described by Phenol-Explorer entry 707
Urine
Detected and Quantified
0.409 +/- 0.174 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.854 +/- 0.209 umol/mmol creatinine
Adult (>18 years old)
Male
Normal
Urine
Detected and Quantified
0.9 (0.6-1.2) umol/mmol creatinine
Adult (>18 years old)
Both
Normal
Abnormal Concentrations
Biospecimen
Status
Value
Age
Sex
Condition
Reference
Details
None available
Spectra
Type
Description
View
Predicted GC-MS
splash10-05fr-7900000000-05a65f70c1492e66a757
Predicted GC-MS
splash10-00fu-7900000000-3dec7f128e63d8a41f56
Predicted GC-MS
Predicted LC-MS/MS
splash10-00di-0900000000-fdbf6912a7ccf149feef
Predicted LC-MS/MS
splash10-00di-2900000000-4b8b9fb03827c8f5a5a6
Predicted LC-MS/MS
splash10-0pdl-9200000000-89814f9e00f72af2063d
Predicted LC-MS/MS
splash10-00di-0900000000-97e83cc78ca8f67f1e46
Predicted LC-MS/MS
splash10-00di-0900000000-6c86b9784be37918b173
Predicted LC-MS/MS
splash10-00dl-9700000000-6d6b9f71e47253eb13d0
Predicted LC-MS/MS
splash10-00di-3900000000-ca25854e387486e0a9bb
Predicted LC-MS/MS
splash10-016v-9000000000-dfe72983f410cb801cc4
Predicted LC-MS/MS
splash10-00or-9000000000-2db0d010ac93173dee86
Predicted LC-MS/MS
splash10-00di-0900000000-99acd0a74fdc923b2838
Predicted LC-MS/MS
splash10-00di-2900000000-7639744c151c0846bda6
Predicted LC-MS/MS
splash10-0006-9100000000-6817cd5ae49f30b5ca1a
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available