CAS 104-01-8|4-Methoxyphenylacetic acid
Introduction：Basic information about CAS 104-01-8|4-Methoxyphenylacetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Methoxyphenylacetic acid | ||
|---|---|---|---|
| CAS Number | 104-01-8 | Molecular Weight | 166.174 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 306.0±17.0 °C at 760 mmHg |
| Molecular Formula | C9H10O3 | Melting Point | 84-86 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 124.3±14.4 °C |
| Symbol | GHS05, GHS07 | Signal Word | Danger |
Names
| Name | 4-methoxyphenylacetic acid |
|---|---|
| Synonym | More Synonyms |
4-Methoxyphenylacetic acid BiologicalActivity
| Description | 2-(4-Methoxyphenyl)acetic acid is a plasma metabolite, with high sensitivity and specificity value as a biomarker for discriminating between NSCLC and healthy controls. |
|---|---|
| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Cancer |
| Target | Human Endogenous Metabolite |
| In Vitro | 2-(4-Methoxyphenyl)acetic acid (4-methoxyphenylacetic acid) is a plasma metabolite, with high sensitivity and specificity values as a biomarker for discriminating between NSCLC and healthy controls. 2-(4-Methoxyphenyl)acetic acid may play a protective role to prevent the development of lung cancer[1]. |
| References | [1]. Xiang C, et al. Cortisol, cortisone, and 4-methoxyphenylacetic acid as potential plasma biomarkers for early detection of non-small cell lung cancer. Int J Biol Markers. 2018 Aug;33(3):314-320. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 306.0±17.0 °C at 760 mmHg |
| Melting Point | 84-86 °C(lit.) |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.174 |
| Flash Point | 124.3±14.4 °C |
| Exact Mass | 166.062988 |
| PSA | 46.53000 |
| LogP | 1.42 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.538 |
| InChIKey | NRPFNQUDKRYCNX-UHFFFAOYSA-N |
| SMILES | COc1ccc(CC(=O)O)cc1 |
| Water Solubility | 6 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530656-1 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1550 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,685,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 504 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 20,709,1977 ** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 63 gm/kg/78W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83216 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 373 (estimated)
Safety Information
| Symbol | GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | AI8960000 |
| HS Code | 29189090 |
Customs
| HS Code | 2918990090 |
|---|---|
| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| 2-(4-methoxyphenyl)acetic acid |
| Benzeneacetic acid, 4-methoxy- |
| 4-Methoxyphenylacetic acid |
| EINECS 203-166-4 |
| (4-Methoxyphenyl)acetic acid |
| QV1R DO1 |
| Homoanisic Acid |
| MFCD00004345 |
