Isovanillin structure
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Common Name | Isovanillin | ||
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CAS Number | 621-59-0 | Molecular Weight | 152.147 | |
Density | 1.2±0.1 g/cm3 | Boiling Point | 308.1±0.0 °C at 760 mmHg | |
Molecular Formula | C8H8O3 | Melting Point | 113-116 °C | |
MSDS | Chinese USA | Flash Point | 119.9±15.3 °C | |
Symbol |
GHS07 |
Signal Word | Warning |
Use of IsovanillinIsovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3]. |
Name | Isovanillin |
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Synonym | More Synonyms |
Description | Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3]. |
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Related Catalog | |
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 |
Density | 1.2±0.1 g/cm3 |
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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 |
Storage condition | -20°C Freezer, Under Inert Atmosphere |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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Symbol |
GHS07 |
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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-S36/37 |
RIDADR | NONH for all modes of transport |
WGK Germany | 3 |
RTECS | CU6540000 |
HS Code | 29124900 |
Precursor 10 | |
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DownStream 9 | |
HS Code | 2912499000 |
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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% |
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J. Am. Chem. Soc. 136(33) , 11644-54, (2014) Aromatic aldehydes are useful in numerous applications, especially as flavors, fragrances, and pharmaceutical precursors. However, microbial synthesis of aldehydes is hindered by rapid, endogenous, an... |
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3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.
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Systemic exposure to and disposition of catechols derived from Salvia miltiorrhiza roots (Danshen) after intravenous dosing DanHong injection in human subjects, rats, and dogs.
Drug Metab. Dispos. 43(5) , 679-90, (2015) DanHong injection is a Danshen (Salvia miltiorrhiza roots)-based injectable solution for treatment of coronary artery disease and ischemic stroke. Danshen catechols are believed to be responsible for ... |
Benzaldehyde, 3-hydroxy-4-methoxy- |
4-MeO-3-OHC6H3CHO |
3-hydroxy-4-methoxy-benzaldehyde |
Isovanillin |
ISOVANILIN |
3-Hydroxy-p-anisaldehyde |
4-08-00-01764 (Beilstein Handbook Reference) |
Isovanilline |
p-Anisaldehyde, 3-hydroxy- (8CI) |
3-Hydroxy-4-methoxybenzolcarbaldehyd |
3-Hydroxy-4-methoxybenzaldehyde |
4-methoxy-3-hydroxybenzaldehyde |
EINECS 210-694-9 |
p-Anisaldehyde, 3-hydroxy- |
VHR CQ DO1 |
Isovanicaline |
MFCD00003369 |
5-Formylguaiacol |
iso-vanillin |
Isovanilllin |