|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 12:54:54 PM |
|---|
|
Metabolite ID | PAMDB120489 |
|---|
|
Identification |
|---|
| Name: |
(4-hydroxyphenyl)acetaldehyde |
|---|
| Description: | Not Available |
|---|
|
Structure |
|
|---|
| Synonyms: | - (4-hydroxyphenyl)acetaldehyde
- 2-(4-Hydroxyphenyl)acetaldehyde
- 4-Hydroxyphenylacetaldehyde
- p-Hydroxyphenylacetaldehyde
- pOH-Ph-CH2CHO
|
|---|
|
Chemical Formula: |
C8H8O2 |
|---|
| Average Molecular Weight: |
136.15 |
|---|
| Monoisotopic Molecular
Weight: |
136.05243 |
|---|
| InChI Key: |
IPRPPFIAVHPVJH-UHFFFAOYSA-N |
|---|
| InChI: | InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2 |
|---|
| CAS
number: |
7339-87-9 |
|---|
| IUPAC Name: | (4-hydroxyphenyl)acetaldehyde |
|---|
|
Traditional IUPAC Name: |
p-hydroxyphenylacetaldehyde |
|---|
| SMILES: | C(=O)CC1(C=CC(O)=CC=1) |
|---|
|
Chemical Taxonomy |
|---|
|
Taxonomy Description | This compound belongs to the class of chemical entities known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. |
|---|
|
Kingdom |
Chemical entities |
|---|
| Super Class | Organic compounds |
|---|
|
Class |
Benzenoids |
|---|
| Sub Class | Benzene and substituted derivatives |
|---|
|
Direct Parent |
Phenylacetaldehydes |
|---|
| Alternative Parents |
|
|---|
| Substituents |
- Phenylacetaldehyde
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Alpha-hydrogen aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic homomonocyclic compound
|
|---|
| Molecular Framework |
Aromatic homomonocyclic compounds |
|---|
| External Descriptors |
|
|---|
|
Physical Properties |
|---|
| State: |
Solid |
|---|
| Charge: | 0 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
| Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | 1.379 | Not Available |
|
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Not Available |
|---|
| Reactions: | |
|---|
|
Pathways: |
|
|---|
|
Spectra |
|---|
| Spectra: |
|
|---|
|
References |
|---|
| References: |
Not Available |
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
