4-Methoxyphenylacetic acid

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Names

[ CAS No. ]:
104-01-8

[ Name ]:
4-Methoxyphenylacetic acid

[Synonym ]:
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

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)

MSDS

Click to get detail MSDS

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

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl (4-methoxyphenyl)acetate
  • Methyl (4-methoxyphenyl)acetate
  • 2-(4-Methoxyphenyl)ethanol
  • 2-diazonio-1-(4-methoxyphenyl)ethenolate
  • Carbon dioxide
  • 4-Methoxybenzylchloride
  • BENZENEMETHANOL, 4-METHOXY-.ALPHA.-(TRICHLOROMETHYL)-
  • 1-(2,2-dibromoethenyl)-4-methoxybenzene
  • (4-Methoxyphenyl)acetonitrile

DownStream

  • 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
  • 2-hydroxy-5-(2-hydroxyethyl)benzaldehyde
  • phenethylamine, p-methoxy-n-methyl-
  • (3S)-3,4-Dihydro-7-methoxy-3-(4-methoxyphenyl)-2H-1-benzopyran
  • biochanin A
  • 4-METHOXY-3-NITRO-BENZENEACETIC ACID METHYL ESTER
  • (4-Methoxyphenyl)aceticacid hydrazide
  • 4-Methoxybenzaldehyde
  • p-Anisic acid
  • (S)-4-Benzyl-3-[2-(4-methoxyphenyl)acetyl]-2-oxazolidinone

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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Related Compounds

  • 3-Iodo-4-methoxyphenylacetic acid
  • 2-AMINO-4-METHOXYPHENYLACETIC ACID
  • 3-azido-4-methoxyphenylacetic acid
  • 2-CYANO-4-METHOXYPHENYLACETIC ACID
  • 3-Fluoro-4-methoxyphenylacetic acid
  • 2-Fluoro-4-methoxyphenylacetic acid
  • 3-cyano-N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)benzamide
  • 5-Bromo-2-[4-(propan-2-yl)piperazin-1-yl]aniline
  • N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)cinnamamide
  • N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)-2-(methylthio)benzamide
  • N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)-2-(methylthio)nicotinamide
  • N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)quinoxaline-2-carboxamide
  • N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
  • 2-(benzylthio)-N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)acetamide
  • 2-((4-fluorophenyl)thio)-N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)acetamide
  • N-((1-(furan-2-ylmethyl)piperidin-4-yl)methyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
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