4460-86-0
Product Name:
2,4,5-Trimethoxybenzaldehyde
Formula:
C10H12O4
Synonyms:
2,4,5-Trimethoxybenzaldehyde;Asaronaldehyde
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 2,4,5-trimethoxybenzaldehyde is a beige powder. (NTP, 1992) |
|---|---|
| Boiling Point | 284 °F at 4 mmHg (Sublimes) (NTP, 1992) |
| Melting Point | 234 to 237 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Vapor Pressure | 0.00113 [mmHg] |
| Collision Cross Section | 138.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1620 |
| Chemical Classes | Other Classes -> Benzaldehydes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 196.20 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 196.07355886 g/mol |
| Monoisotopic Mass | 196.07355886 g/mol |
| Topological Polar Surface Area | 44.8 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 183 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2,4,5-trimethoxybenzaldehyde is a beige powder. (NTP, 1992)