CAS 621-23-8|1,3,5-Trimethoxybenzene
Introduction：Basic information about CAS 621-23-8|1,3,5-Trimethoxybenzene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3,5-Trimethoxybenzene | ||
|---|---|---|---|
| CAS Number | 621-23-8 | Molecular Weight | 168.190 |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 257.0±20.0 °C at 760 mmHg |
| Molecular Formula | C9H12O3 | Melting Point | 50-53 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 85.6±0.0 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 1,3,5-trimethoxybenzene |
|---|---|
| Synonym | More Synonyms |
1,3,5-Trimethoxybenzene BiologicalActivity
| Description | 1,3,5-Trimethoxybenzene is a key component of the Chinese rose odor. 1,3,5-Trimethoxybenzene is synthesized in three successive methylation steps from phloroglucinol, the initial precursor. 1,3,5-Trimethoxybenzene is an effective sedative[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease |
| References | [1]. Wu S, et al. The key role of phloroglucinol O-methyltransferase in the biosynthesis of Rosa chinensis volatile 1,3,5-trimethoxybenzene. Plant Physiol. 2004 May;135(1):95-102. |
Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 257.0±20.0 °C at 760 mmHg |
| Melting Point | 50-53 °C(lit.) |
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.190 |
| Flash Point | 85.6±0.0 °C |
| Exact Mass | 168.078644 |
| PSA | 27.69000 |
| LogP | 1.61 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.485 |
| InChIKey | LKUDPHPHKOZXCD-UHFFFAOYSA-N |
| SMILES | COc1cc(OC)cc(OC)c1 |
| Water Solubility | insoluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1480 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,187,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 580 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,187,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 3,187,1969
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22 |
| Safety Phrases | S24/25 |
| RIDADR | 1325 |
| WGK Germany | 3 |
| RTECS | DC2810000 |
| Packaging Group | III |
| Hazard Class | 4.1 |
| HS Code | 29093090 |
Customs
| HS Code | 2909309090 |
|---|---|
| Summary | 2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
Articles19
More Articles| A denuder-impinger system with in situ derivatization followed by gas chromatography-mass spectrometry for the determination of gaseous iodine-containing halogen species. J. Chromatogr. A. 1210(2) , 135-41, (2008) Reactive iodine species have been suggested to play an important role in the atmosphere (e.g. tropospheric ozone depletion, coastal new particle formation). However, there still exist major uncertaint... | |
| Ozonolysis of lignin models in aqueous solution: anisole, 1,2-dimethoxybenzene, 1,4-dimethoxybenzene, and 1,3,5-trimethoxybenzene. Environ. Sci. Technol. 43(16) , 6275-82, (2009) The lignin models anisole, 1,2-dimethoxybenzene, 1,4-dimethoxybenzene, and 1,3,5-trimethoxybenzene were reacted with ozone in aqueous solution, and major products were identified and quantified with r... | |
| Stereoselective glycosylations using oxathiane spiroketal glycosyl donors. Carbohydr. Res. 348 , 6-13, (2012) Novel oxathiane spiroketal donors have been synthesised and activated via an umpolung S-arylation strategy using 1,3,5-trimethoxybenzene and 1,3-dimethoxybenzene. The comparative reactivity of the res... |
Synonyms
| Benzene,1,3,5-trimethoxy |
| 1,3,5-trimethoxy-benzene |
| Benzene, 1,3,5-trimethoxy- |
| 1,3,5-Trimethoxybenzene |
| tri-O-methylphloroglucinol |
| phloroglucinol trimethyl ether |
| 2,4,6-Trimethoxybenzene |
| 1,3,5-Trimethyoxybenzene |
| 1,3,5-trimethoxy-benzen |
| sym-Trimethoxybenzene |
| 2,4,6-trimethoxyiodobenzene |
| 1,3,5-Trimethoxybenz |
| 1,3,5-trimethoxyarene |
| MFCD00008385 |
| 5-TriMethoxybenzene |
| TRISMETHOXYBENZENE |
| 3,5-DIMETHOXYANISOLE |
| EINECS 210-673-4 |
