CAS Number951-82-6
SynonymsEINECS 213-456-2; 3,4,5-Trimethoxyphenylacetic acid; (3,4,5-Trimethoxyphenyl)acetic acid; 2-(3,4,5-trimethoxyphenyl)acetic acid; MFCD00004336
Molecular Formula(CH3O)3C6H2CH2CO2H
Molecular Weight226.23
Purity97%
Density1.2±0.1 g/cm3
Boiling Point360.8±37.0 °C at 760 mmHg
Melting Point117-120 °C (lit.)
AppearanceWhite crystalline powder
EINECS213-456-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 951-82-6 |
| Catalog No. | 2A-9025773 |
| Chinese Name | 3,4,5-三甲氧基苯乙酸 |
| Synonyms | EINECS 213-456-2; 3,4,5-Trimethoxyphenylacetic acid; (3,4,5-Trimethoxyphenyl)acetic acid; 2-(3,4,5-trimethoxyphenyl)acetic acid; MFCD00004336 |
| Molecular Formula | (CH3O)3C6H2CH2CO2H |
| Molecular Weight | 226.23 |
| Purity | 97 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 360.8±37.0 °C at 760 mmHg |
| Melting Point | 117-120 °C (lit.) |
| Appearance | White crystalline powder |
| Water Solubility | SOLUBLE |
| Storage Condition | Keep container sealed and store in a cool, dry pla |
| Application | 3,4,5-Trimethoxyphenylacetic acid is a metabolite of mescaline [1]. |
| EINECS | 213-456-2 |
| HTC | 29189090 |
| PubChem ID | 24900247 |
| MDL Number | MFCD00004336 |
| SMILES | COc1cc(CC(O)=O)cc(OC)c1OC |
| InChI | 1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13) |
| InChI Key | DDSJXCGGOXKGSJ-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2697844 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/25773_1_951_82_6.pdf |
| Bioactivity | 3,4,5-Trimethoxyphenylacetic acid is a metabolite of Mescaline[1]. Related Catalog Research Areas >> Neurological Disease References [1]. Demisch L, et al. 3,4,5-Trimethoxybenzoic acid, a new mescaline metabolite in humans. Drug Metab Dispos. 1978 Sep-Oct;6(5):507-9. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 360.8±37.0 °C at 760 mmHg Melting Point 117-120 °C(lit.) Molecular Formula C11H14O5 Molecular Weight 226.226 Flash Point 138.1±20.0 °C Exact Mass 226.084122 PSA 64.99000 LogP 0.94 Vapour Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.520 InChIKey DDSJXCGGOXKGSJ-UHFFFAOYSA-N SMILES COc1cc(CC(=O)O)cc(OC)c1OC Water Solubility SOLUBLE |
| Use of | 3,4,5-Trimethoxyphenylacetic acid is a metabolite of Mescaline[1]. Properties Name 3,4,5-Trimethoxyphenylacetic acid Synonym More Synonyms 3,4,5-Trimethoxyphenylacetic acid Biological Activity Description 3,4,5-Trimethoxyphenylacetic acid is a metabolite of Mescaline[1]. Related Catalog Research Areas >> Neurological Disease References [1]. Demisch L, et al. 3,4,5-Trimethoxybenzoic acid, a new mescaline metabolite in humans. Drug Metab Dispos. 1978 Sep-Oct;6(5):507-9. Chemical & Physical Properties Molecular Formula C11H14O5 Exact Mass 226.084122 PSA 64.99000 Index of Refraction 1.520 InChIKey DDSJXCGGOXKGSJ-UHFFFAOYSA-N Water Solubility SOLUBLE |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN 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: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No 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 precautions for users No data available |
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