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2,4,5-Trimethoxybenzaldehyde CAS#4460-86-0
CAS Number: 4460-86-0
Chemical Formula: C10H12O4
Synonyms:
ASARONALDEHYDE
ASARALDEHYDE
2,4,5-TRIMETHOXYBENZALDEHYDE
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Appearance: White Powder
2,4,5-Trimethoxybenzaldehyde CAS#4460-86-0
2,4,5-Trimethoxybenzaldehyde (2,4,5-TMBA) is a natural cyclooxygenase-2 (COX-2) activity inhibitor that is present in carrot seeds (Daucus carota L.) and can be synthesised using Indonesia Sweet Flag (Acorus calamus) as a raw material. 2,4,5-TMBA may serve as a synthetic intermediate component for various pharmaceuticals. In addition, 2,4,5-TMBA is also considered a candidate drug for oral non-steroidal anti-inflammatory drugs (NSAIDs)[1].
[1] LERRICK R I. Synthesis of Nonsteroidal Anti-Inflammatory Drug (NSAID) 2,4,5-Trimethoxybenzaldehyde from Indonesian Calamus oil and Its In Silico Pharmacokinetic Study[J]. Canadian Journal of Chemistry, 2022, 20 1. DOI:10.1139/cjc-2022-0121.
2,4,5-Trimethoxybenzaldehyde Chemical Properties |
Melting point | 112-114 °C (lit.) |
Boiling point | 140°C 4mm |
density | 1.2166 (rough estimate) |
refractive index | 1.5550 (estimate) |
Fp | 140°C/4mm subl. |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
form | Fine Crystalline Powder |
color | White to light beige |
Water Solubility | <0.1 g/100 mL at 22 ºC |
Sensitive | Air Sensitive |
BRN | 1951403 |
InChI | 1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3 |
InChIKey | IAJBQAYHSQIQRE-UHFFFAOYSA-N |
SMILES | [H]C(=O)c1cc(OC)c(OC)cc1OC |
LogP | 1.634 (est) |
CAS DataBase Reference | 4460-86-0(CAS DataBase Reference) |
NIST Chemistry Reference | Benzaldehyde, 2,4,5-trimethoxy-(4460-86-0) |
EPA Substance Registry System | 2,4,5-Trimethoxybenzaldehyde (4460-86-0) |
Safety Information |
Hazard Codes | C |
Risk Statements | 36/37/38-34 |
Safety Statements | 22-24/25-45-36/37/39-27-26 |
WGK Germany | 3 |
RTECS | CU8460000 |
TSCA | TSCA listed |
HS Code | 29124990 |
Storage Class | 11 - Combustible Solids |
Hazard Classifications | Acute Tox. 4 Oral |
Hazardous Substances Data | 4460-86-0(Hazardous Substances Data) |
Product Application Of 2,4,5-Trimethoxybenzaldehyde CAS#4460-86-0
2,4,5-Trimethoxybenzaldehyde is used in the synthesis of stilbene and hydrostibene derivatives as potential anticancer agents, inhibiting tubulin. Also used in the synthesis of HIV-RT inhibitors. |
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