Name
Coniferyl Alcohol
CAS
458-35-5
HMDB ID
Synonyms
(E) 3-(4-hydroxy-3-methoxyphenyl)-2-Propen-1-ol
3-(4-Hydroxy-3-methoxyphenyl)-2-Propen-1-ol
3-(4-Hydroxy-3-methoxyphenyl)allyl alcohol
4-((1E)-3-Hydroxy-1-propenyl)-2-methoxyphenol
4-(3-Hydroxy-1-propenyl)-2-methoxy-Phenol
4-(3-Hydroxy-1-propenyl)-2-methoxyphenol
4-Hydroxy-3-methoxycinnamic alcohol
4-Hydroxy-3-methoxycinnamyl alcohol
4-[(1E)-3-Hydroxy-1-propenyl]-2-methoxyphenol
4-[(1E)-3-Hydroxyprop-1-en-1-yl]-2-methoxyphenol
Coniferol
Coniferyl-alcohol
Coniferylic alcohol
E-Coniferyl alcohol
P-Hydroxy-m-methoxycinnamyl alcohol
epsilon-Coniferyl alcohol
gamma-Hydroxyisoeugenol
Molecular formula
C10H12O3
Average molecular weight
180.2
Monoisotopic mass of parent ion
180.0786
Verified Purity
96.65
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
Coniferyl alcohol
Structure
SMILES
COC1=C(O)C=CC(\C=C\CO)=C1
Description
Coniferyl alcohol (CAS: 458-35-5), also known as coniferol, 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. Coniferyl alcohol is an organic compound. When copolymerized with related aromatic compounds, coniferyl alcohol forms lignin or lignans. Coniferyl alcohol is an intermediate in the biosynthesis of eugenol, stilbenoids, and coumarin. Outside of the human body, coniferyl alcohol has been detected, but not quantified in, several different foods, such as common sages, chestnuts, cereals and cereal products, gingers, and cashew nuts. This could make coniferyl alcohol a potential biomarker for the consumption of these foods. Gum benzoin contains a significant amount of coniferyl alcohol and its esters. Coniferyl alcohol is an organic compound. This colourless crystalline solid is a phytochemical, one of the monolignols. It is synthesized via the phenylpropanoid biochemical pathway.
Physical Properties
State
Solid
Experimental Properties
Property
Value
Reference
Melting Point
74 °C
Boiling Point
332.00 to 333.00 °C. @ 760.00 mm Hg (est)
The Good Scents Company Information System
Water Solubility
17210.0 mg/L @ 25 °C (est)
The Good Scents Company Information System
LogP
0.920 (est)
The Good Scents Company Information System
Biological Properties
Cellular Locations
N/A
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
splash10-0w3a-0900000000-c3f5aeffcba96abe41da
Predicted GC-MS
splash10-0kp0-8194000000-8bc8f9ae4a3bf62fa091
Predicted GC-MS
Predicted GC-MS
Predicted LC-MS/MS
splash10-03e9-0900000000-f6bbbda70bec57d54aae
Predicted LC-MS/MS
splash10-03ei-1900000000-3d071a468ccb93b13a93
Predicted LC-MS/MS
splash10-059i-7900000000-90868b3f0a488e617d4d
Predicted LC-MS/MS
splash10-004i-0900000000-c729b8f0720bcdcdde7d
Predicted LC-MS/MS
splash10-01t9-0900000000-4dbcd2c4d0c5f7bf5419
Predicted LC-MS/MS
splash10-052o-3900000000-4d122ceec54b7f8cab5d
Predicted LC-MS/MS
splash10-004i-0900000000-074bf952f4105e8f10d2
Predicted LC-MS/MS
splash10-00di-0900000000-494e5e2f6e97fd314483
Predicted LC-MS/MS
splash10-003r-2900000000-4533325c29a82a96f32b
Predicted LC-MS/MS
splash10-001r-0900000000-e7b51828e724301da666
Predicted LC-MS/MS
splash10-001i-0900000000-73c4d6f6f4b8b6f0cbb0
Predicted LC-MS/MS
splash10-0a4i-6900000000-70c7e7ed6d9cf3dbdcbf
Pathways
Name
SMPDB / Pathwhiz
KEGG
None available