4-methoxy-2-methylbenzoate
Methyl p-methoxybenzoate
CAS: 121-98-2
Molecular Formula: C9H10O3
4-methoxy-2-methylbenzoate - Names and Identifiers
| Name | Methyl p-methoxybenzoate |
| Synonyms | Methyl anisate Methyl-p-anisat RARECHEM AL BF 0083 Methyl para-anisate METHYL ANISATE, NATURAL Methyl p-methoxybenzoate Methyl 4-methoxybenzoate P-ANISIC ACID METHYL ESTER 4-methoxy-2-methylbenzoate METHYLPARA-METHOXYBENZOATE P-Methoxy-Benzoicacimethylest |
| CAS | 121-98-2 |
| EINECS | 204-513-2 |
| InChI | InChI=1/C9H10O3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)/p-1 |
4-methoxy-2-methylbenzoate - Physico-chemical Properties
| Molecular Formula | C9H10O3 |
| Molar Mass | 166.17 |
| Density | 1.1708 (rough estimate) |
| Melting Point | 47-51 °C (lit.) |
| Boling Point | 244-245 °C (lit.) |
| Flash Point | >230°F |
| JECFA Number | 884 |
| Water Solubility | 643.1mg/L(20 ºC) |
| Solubility | Chloroform, Methanol (Slightly) |
| Vapor Presure | 0.000741mmHg at 25°C |
| Appearance | White powder |
| Color | Plates from alcohol. Flakes from EtOH or Et2O |
| BRN | 2208571 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5224 (estimate) |
| MDL | MFCD00008437 |
| Use | Used in pharmaceutical intermediates, also used in organic synthesis |
4-methoxy-2-methylbenzoate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | BZ4925000 |
| TSCA | Yes |
| HS Code | 29189900 |
| Toxicity | LD50 orl-rat: >5 g/kg FCTXAV 14,481,76 |
4-methoxy-2-methylbenzoate - Introduction
Methyl p-anisate is a volatile compound released from Mycobacterium tuberculosis and is detected in the breath of tuberculosis patients. It is a potential biomarker for mycobacteria.
Last Update：2022-10-16 17:12:45
4-methoxy-2-methylbenzoate - Reference Information
| FEMA | 2679 | METHYL ANISATE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): drinking 2.7; Cold drink 3.0; Candy 8.0; Baked products 6.2. The right amount is limited (FDA,§ 172.515,2001). |
| biological activity | Methyl anisate is an endogenous metabolite. |
| Uses | Used for pharmaceutical intermediates, also used for organic synthesis Used for pharmaceutical intermediates, organic synthesis. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | oral-rat LD50:> 5000 mg/kg; Skin-rabbit LD50:> 5000 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild |
| flammability hazard characteristics | combustible; combustion produces irritating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 02:00:06
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