CAS 100-83-4|3-Hydroxybenzaldehyde
| Common Name | 3-Hydroxybenzaldehyde | ||
|---|---|---|---|
| CAS Number | 100-83-4 | Molecular Weight | 122.121 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 240.9±13.0 °C at 760 mmHg |
| Molecular Formula | C7H6O2 | Melting Point | 100-103 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 98.6±12.4 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 3-hydroxybenzaldehyde |
|---|---|
| Synonym | More Synonyms |
3-Hydroxybenzaldehyde BiologicalActivity
| Description | 3-Hydroxybenzaldehyde is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects in vitro and in vivo[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>Aldehyde Dehydrogenase (ALDH)Research Areas >>Cardiovascular Disease |
| Target | IC50: substrate of aldehyde dehydrogenase (ALDH)[1] |
| References | [1]. Kong BS, et al. Vasculoprotective Effects of 3-Hydroxybenzaldehyde against VSMCs Proliferation and ECs Inflammation.PLoS One. 2016 Mar 22;11(3):e0149394. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 240.9±13.0 °C at 760 mmHg |
| Melting Point | 100-103 °C(lit.) |
| Molecular Formula | C7H6O2 |
| Molecular Weight | 122.121 |
| Flash Point | 98.6±12.4 °C |
| Exact Mass | 122.036781 |
| PSA | 37.30000 |
| LogP | 1.25 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.618 |
| InChIKey | IAVREABSGIHHMO-UHFFFAOYSA-N |
| SMILES | O=Cc1cccc(O)c1 |
| Water Solubility | SOLUBLE |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 1 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 206,17,1988
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 1 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 206,17,1988
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | CU6450000 |
| HS Code | 29124900 |
Customs
| HS Code | 2912499000 |
|---|---|
| Summary | 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0% |
Articles8
More Articles| 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorg. Med. Chem. 15 , 2006-15, (2007) Phenoloxidase (PO), also known as tyrosinase, is a key enzyme in insect development, responsible for catalyzing the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-q... | |
| A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta. Bioorg. Med. Chem. Lett. 19 , 4952-7, (2009) Aggregated amyloid-beta (Abeta) peptide is implicated in the pathology of Alzheimer's disease. In vitro and in vivo, these aggregates are found in a variety of morphologies, including globular oligome... | |
| Mass spectrometric behavior of phenolic acids standards and their analysis in the plant samples with LC/ESI/MS system. J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 967 , 21-7, (2014) Liquid chromatography coupled to mass spectrometry (MS) with electrospray ionization (ESI) is one of analytical techniques to obtain accurate results of low molecular weight aromatic compounds in biol... |
Synonyms
| m-Aldehydophenol |
| 3-Hydroxybenzaldehyde |
| MHB |
| 3-monohydroxybenzaldehyde |
| 3-hydroxy-benzaldehyde |
| meta-hydroxybenzaldehyde |
| benzaldehyde-3 OH |
| EINECS 202-892-9 |
| Benzaldehyde, 3-hydroxy- |
| m-Hydroxybenzaldehyde |
| m-Formylphenol |
| m-hydroxy-benzaldehyd |
| 3-FORMYLPHENOL |
| MFCD00003368 |
| hydroxybenzaldehyde |
| 3-hydroxy-benzaldehyd |
| Roxatidine Impurity 3 |
