CAS Number621-59-0
Synonyms3-hydroxy-4-methoxy-benzaldehyde; Isovanillin; ISOVANILIN; 3-Hydroxy-p-anisaldehyde; 4-08-00-01764 (Beilstein Handbook Reference); Isovanilline; 3-Hydroxy-4-methoxybenzolcarbaldehyd; 3-Hydroxy-4-methoxybenzaldehyde; 4-methoxy-3-hydroxybenzaldehyde; EINECS 210-694-9; VHR CQ DO1; Isovanicaline; MFCD00003369; 5-Formylguaiacol; iso-vanillin; Isovanilllin
Molecular FormulaHOC6H3(OCH3)CHO
Molecular Weight152.15
Purity99%
Density1.2±0.1 g/cm3
Boiling Point179 °C/15 mmHg (lit.)
Melting Point113-115 °C (lit.)
Appearancelight brown crystal
EINECS210-694-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 621-59-0 |
| Catalog No. | 2A-9004537 |
| Chinese Name | 异香兰素； 3-羟基-4-甲氧基苯甲醛; 异香草醛 |
| Synonyms | 3-hydroxy-4-methoxy-benzaldehyde; Isovanillin; ISOVANILIN; 3-Hydroxy-p-anisaldehyde; 4-08-00-01764 (Beilstein Handbook Reference); Isovanilline; 3-Hydroxy-4-methoxybenzolcarbaldehyd; 3-Hydroxy-4-methoxybenzaldehyde; 4-methoxy-3-hydroxybenzaldehyde; EINECS 210-694-9; VHR CQ DO1; Isovanicaline; MFCD00003369; 5-Formylguaiacol; iso-vanillin; Isovanilllin |
| Molecular Formula | HOC6H3(OCH3)CHO |
| Molecular Weight | 152.15 |
| Purity | 99 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 179 °C/15 mmHg (lit.) |
| Melting Point | 113-115 °C (lit.) |
| Appearance | light brown crystal |
| Storage Condition | Store in a sealed container filled with inert gas |
| Application | Isovanillin is an aldehyde oxidase inhibitor [1]. Antispasmodic activity[2]. Antidiarrheal activity[3]. |
| EINECS | 210-694-9 |
| HTC | 29124900 |
| PubChem ID | 24848602 |
| MDL Number | MFCD00003369 |
| SMILES | [H]C(=O)c1ccc(OC)c(O)c1 |
| InChI | 1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3 |
| InChI Key | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
| Beilstein/REAXYS | 1073021 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| MSDS | msds/4537_1_621_59_0.pdf |
| Bioactivity | Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Natural Products >> Phenols Target Aldehyde oxidase[1] In Vitro Isovanillin is not a substrate for aldehyde oxidase and therefore it is metabolized to isovanillic acid predominantly by aldehyde dehydrogenase[1]. Isovanillin is relaxant of ileum contractions induced by 5-HT (IC50=356±50μM) [2]. In Vivo 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]. References [1]. Panoutsopoulos GI, et al. Enzymatic oxidation of vanillin, isovanillin and protocatechuic aldehyde with freshly prepared Guinea pig liver slices. Cell Physiol Biochem. 2005;15(1-4):89-98. [2]. Sadraei H, et al. Antispasmodic activity of isovanillin and isoacetovanillon in comparison with Pycnocycla spinosa Decne.exBoiss extract on rat ileum. Res Pharm Sci. 2014 May-Jun;9(3):187-92. [3]. Sadraei H, et al. Antidiarrheal activities of isovanillin, iso-acetovanillon and Pycnocycla spinosa Decne ex.Boiss extract in mice. Res Pharm Sci. 2014 Mar-Apr;9(2):83-9. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 308.1±0.0 °C at 760 mmHg Melting Point 113-116 °C Molecular Formula C8H8O3 Molecular Weight 152.147 Flash Point 119.9±15.3 °C Exact Mass 152.047348 PSA 46.53000 LogP 1.10 Vapour Pressure 0.0±0.6 mmHg at 25°C Index of Refraction 1.588 InChIKey JVTZFYYHCGSXJV-UHFFFAOYSA-N SMILES COc1ccc(C=O)cc1O Storage condition -20°C Freezer, Under Inert Atmosphere |
| Use of | Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3]. Properties Articles30 Name Isovanillin Synonym More Synonyms Isovanillin Biological Activity Description Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Natural Products >> Phenols Aldehyde oxidase[1] References [1]. Panoutsopoulos GI, et al. Enzymatic oxidation of vanillin, isovanillin and protocatechuic aldehyde with freshly prepared Guinea pig liver slices. Cell Physiol Biochem. 2005;15(1-4):89-98. [2]. Sadraei H, et al. Antispasmodic activity of isovanillin and isoacetovanillon in comparison with Pycnocycla spinosa Decne.exBoiss extract on rat ileum. Res Pharm Sci. 2014 May-Jun;9(3):187-92. [3]. Sadraei H, et al. Antidiarrheal activities of isovanillin, iso-acetovanillon and Pycnocycla spinosa Decne ex.Boiss extract in mice. Res Pharm Sci. 2014 Mar-Apr;9(2):83-9. Chemical & Physical Properties Molecular Formula C8H8O3 Exact Mass 152.047348 PSA 46.53000 Index of Refraction 1.588 InChIKey JVTZFYYHCGSXJV-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip. |
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