Methyl anisate

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Names

[ CAS No. ]:
121-98-2

[ Name ]:
Methyl anisate

[Synonym ]:
Methylanisate
Benzoic acid, 4-methoxy-, methyl ester
p-Anisic acid methyl ester
METHYL-4-METHOXY BENZOATE
4-METHOXYBENZOIC ACID METHYL ESTER
Methyl p-Anisate
Methyl 4-methoxybenzoate
METHYL P-METHOXYBENZOATE
METHYL-4-METHOXYBENZOATE
METHYL 4-METHOXYBENZOATE (METHYL P-ANISATE)
Methyl Anisate
EINECS 204-513-2
METHYL 4-METHOXYBENZOATE/4-METHOXYBENZOIC ACID METHYL ESTER/METHYL P-ANISATE
MFCD00008437
METHYL-P-METHOXY BENZOATE
METHYL-P-ANISATE
METHYL P-ANISATE (METHYL P-METHOXYBENZOATE)
p-Anisic acid methyl ester,Methyl 4-methoxybenzoate
4-METHOXYL BENZOIC ACID METHYL ESTER
ANISIC ACID METHYL ESTER
BENZOIC ACID,4-METHOXY-, METHYL ESTER
METHYL4-METHOXYBENZOATE

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
244 ºC

[ Melting Point ]:
48-51 ºC

[ Molecular Formula ]:
C9H10O3

[ Molecular Weight ]:
166.174

[ Flash Point ]:
98.1±14.4 °C

[ Exact Mass ]:
166.062988

[ PSA ]:
35.53000

[ LogP ]:
2.27

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.503

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BZ4925000
CHEMICAL NAME :
p-Anisic acid, methyl ester
CAS REGISTRY NUMBER :
121-98-2
BEILSTEIN REFERENCE NO. :
2208571
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H10-O3
MOLECULAR WEIGHT :
166.19
WISWESSER LINE NOTATION :
1OVR DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,481,1976 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/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: 14,481,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/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: 14,481,1976

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
BZ4925000

[ Packaging Group ]:
III

[ HS Code ]:
2918990090

Synthetic Route

Precursor & DownStream

Precursor

  • Dimethyl sulfate
  • 4-Hydroxybenzoic acid
  • p-Anisic acid
  • Dimethyl Carbonate
  • tert-Butyl Hydroperoxide
  • 4-Methoxybenzaldehyde
  • Methanol
  • Anisole, p-(phenylethynyl)-
  • 4-Bromoanisole
  • carbon monoxide

DownStream

  • 2-benzyl-3-(4-methoxyphenyl)isoquinolin-1-one
  • Methyl 4-methoxy-3-nitrobenzoate
  • 3-Bromo-4-methoxybenzaldehyde
  • 4-Methoxybenzohydrazide
  • Methyl-3-chloro-4-methoxybenzoate
  • Methyl 3-fluoro-4-methoxybenzoate
  • Methyl 3,5-difluoro-4-methoxybenzoate
  • 3-(4-Methoxyphenyl)-3-oxopropanenitrile
  • Methyl 3-(chloromethyl)-4-methoxybenzoate
  • (4-Methoxybenzyl)(triphenyl)phosphonium chloride

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%

Articles

Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.

Bioorg. Med. Chem. Lett. 21 , 2521-6, (2011)

The inhibition of the β-carbonic anhydrases (CAs, EC 4.2.1.1) from the pathogenic fungi Cryptococcus neoformans (Can2) and Candida albicans (Nce103) with a series of 25 branched aliphatic and aromatic...

Validating a breath collection and analysis system for the new tuberculosis breath test.

J. Breath Res. 7(3) , 037108, (2013)

Mycobacterium tuberculosis releases four volatile compounds, methyl phenyl-acetate, methyl nicotinate, methyl p-anisate and o-phenylanisole, some of which we have previously been reported to be detect...

Diagnostic potential of the pulsed discharged helium ionization detector (PDHID) for pathogenic Mycobacterial volatile biomarkers.

J. Breath Res. 7(3) , 037107, (2013)

Pathogenic Mycobacteria cause diseases in animals and humans with significant economic and societal consequences. Current methods for Mycobacterial detection relies upon time- and labor-intensive tech...


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Related Compounds

  • methyl 5-amino-4-nitro-anisate
  • methyl 4-amino-5-methylaminosulphonyl-o-anisate
  • methyl α-(tert-butoxycarbonyl)-5-amino-m-anisate
  • methyl α-(tert-butoxycarbonyl)-5-nitro-m-anisate
  • methyl 18-carboxylabda-8,13-diene-15-oate
  • methyl 6-[(R)-(4-methylphenyl)sulfinyl]-3,5-dioxohexanoate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(3-(pyridazin-3-yloxy)pyrrolidin-1-yl)prop-2-en-1-one
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 2-((2,5-dimethylbenzyl)thio)-7-phenyl-3-(p-tolyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one