4-Methoxyphenylacetic acid

Modify Date: 2024-01-01 17:46:33

4-Methoxyphenylacetic acid Structure
4-Methoxyphenylacetic acid structure
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 Chinese USA Flash Point 124.3±14.4 °C
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Use of 4-Methoxyphenylacetic acid


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.

 Names

Name 4-methoxyphenylacetic acid
Synonym More Synonyms

 4-Methoxyphenylacetic acid Biological Activity

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
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
Water Solubility 6 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI8960000
CHEMICAL NAME :
Acetic acid, p-methoxyphenyl-
CAS REGISTRY NUMBER :
104-01-8
BEILSTEIN REFERENCE NO. :
1101737
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C9-H10-O3
MOLECULAR WEIGHT :
166.19
WISWESSER LINE NOTATION :
QV1R DO1

HEALTH HAZARD DATA

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
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

 Synthetic Route

 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%

 Articles4

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Mass spectrometric behavior of phenolic acids standards and their analysis in the plant samples with LC/ESI/MS system.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 967 , 21-7, (2014)

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High-performance liquid chromatographic method for screening disorders of aromatic acid metabolism using a multi-detection system.

J. Chromatogr. A. 310(2) , 273-81, (1984)

This paper describes the use of a high-performance liquid chromatograph equipped with an ultraviolet multi-detection system for the analysis of aromatic acids to help establish a high-risk screening s...

 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
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