3-Hydroxy-4-methoxybenzaldehyde
3-Hydroxy-4-methoxybenzaldehyde
CAS: 621-59-0
Molecular Formula: C8H8O3
3-Hydroxy-4-methoxybenzaldehyde - Names and Identifiers
| Name | 3-Hydroxy-4-methoxybenzaldehyde |
| Synonyms | ISOVANILIN ISOVANILLIN Isovanillin AKOS B022473 AKOS BBS-00003278 3-HYDROXYANISALDEHYDE 3-HYDROXY-P-ANISALDEHYDE 3-HYDROXY-4-ANISALDEHYDE 3-Hydroxy-p-anisaldehyde 3-HYDROXY-4-METHOXYBENZALDEHYDE 4-METHOXY-3-HYDROXYBENZALDEHYDE 3-Hydroxy-4-methoxybenzaldehyde 3-Hydorxy-4-Methoxy Benzoic Acid |
| CAS | 621-59-0 |
| EINECS | 210-694-9 |
| InChI | InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3 |
| InChIKey | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
3-Hydroxy-4-methoxybenzaldehyde - Physico-chemical Properties
| Molecular Formula | C8H8O3 |
| Molar Mass | 152.15 |
| Density | 1.20 |
| Melting Point | 113-116°C |
| Boling Point | 179°C15mm Hg(lit.) |
| Flash Point | 179°C/15mm |
| Water Solubility | 2.27g/L at 20℃ |
| Solubility | DMSO:30 mg/mL (197.17 mM) |
| Vapor Presure | 0Pa at 20℃ |
| Appearance | Pale yellow crystalline powder |
| Color | faintly brown |
| BRN | 1073021 |
| pKa | pK1:8.889 (25°C) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Air Sensitive |
| Refractive Index | 1.4945 (estimate) |
| MDL | MFCD00003369 |
| Physical and Chemical Properties | Light yellow crystalline powder. Melting point 113-115 °c. |
| Use | For perfume and pharmaceutical intermediates |
| In vitro study | Isovanillin is not a substrate for aldehyde oxidase and therefore it is metabolized to isovanillic acid predominantly by aldehyde dehydrogenase. Isovanillin is relaxant of ileum contractions induced by 5-HT (IC 50 =356±50μM) . |
| In vivo study | Isovanillin (2 mg/kg & 5 mg/kg) and iso-acetovanillon (2 mg/kg & 5 mg/kg) both have antidiarrheal and anti-motility effect on gastrointestinal tract. |
3-Hydroxy-4-methoxybenzaldehyde - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| RTECS | CU6540000 |
| TSCA | Yes |
| HS Code | 29124900 |
| Hazard Note | Irritant |
3-Hydroxy-4-methoxybenzaldehyde - Upstream Downstream Industry
| Raw Materials | Dimethyl sulfate Vanillin |
3-Hydroxy-4-methoxybenzaldehyde - Reference
| Reference Show more | 1. Single Wang, Chen Yongsheng, Liang Xiaowei, etc. Synthesis and antioxidant structure-activity relationship of hydroxycinnamic acid derivatives [J]. Science and Technology of food industry, 2017(12):293-297 338. 2. [IF = 4.411] Mengyuan Gao et al."Correlation between Quality and Geographical origin of Cortex Periplocae, Based on the Quality and Quantitative Determination of Chemical Markers Combined with Chemical Pattern Recognition." Molecules. 2019 Jan;24(19):3621 |
3-Hydroxy-4-methoxybenzaldehyde - Reference Information
| LogP | 0.95 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | isovanillin is an important fine chemical products, used as spices, flavors, food and cosmetics additives, plant growth regulators, it is also an important pharmaceutical intermediates. As a perfume, it has unique properties than vanillin, and its fragrance performance varies with the change of ambient temperature, so it is particularly suitable for special cosmetics and some special perfume industries. |
| biological activity | Isovanillin (5-Formylguaiacol, 3-hydroxy-p-anisaldehydes, 3-hydroxy-4-methoxybenzaldehydes) is a reversible inhibitor of aldehyde dehydrogenase. It is widely used as a pharmaceutical intermediate in the fields of food and beverage industry, chemical synthesis of fragrances and chemical analysis. |
| Target | Value |
| Use | for perfume and pharmaceutical intermediates |
Last Update：2024-04-09 20:02:46
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Raw Materials for 3-Hydroxy-4-methoxybenzaldehyde