ChemicalBook--->CAS DataBase List--->1798-09-0

1798-09-0

1798-09-0 Structure

1798-09-0 Structure
IdentificationMore
[Name]

3-Methoxyphenylacetic acid
[CAS]

1798-09-0
[Synonyms]

2-(3-METHOXYPHENYL)ACETIC ACID
3-METHOXYPHENYLACETIC ACID
AKOS BBS-00006497
META METHOXY PHENYL ACETIC ACID
M-METHOXY-A-CARBOXYTOLUENE
M-METHOXY-A-TOLUIC ACID
M-METHOXYPHENYLACETIC ACID
RARECHEM AL BO 0124
(m-methoxyphenyl)-aceticaci
3-Methoxybenzeneacetic acid
3-methoxy-benzeneaceticaci
3-methoxybenzeneaceticacid
Acetic acid, (m-methoxyphenyl)-
Benzeneaceticacid,3-methoxy-
m-Methoxyphenylessigsαure
3-METHOXYPHENYLACETIC ACID, 99+%
3-Methoxyphenylacetic acid, 99.50%
3-Methoxy-benzeneaceticacetic Acid
m-Anisyl-acetic Acid
3-Methoxyphenylacetic acid 98%
[EINECS(EC#)]

217-282-8
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00004334
[Molecular Weight]

166.17
[MOL File]

1798-09-0.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

65-69 °C (lit.)
[Boiling point ]

306 °C
[density ]

1.1708 (rough estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in Chloroform and Ethyl Acetate.
[form ]

Flakes
[pka]

4.19±0.10(Predicted)
[color ]

White to slightly yellow
[Water Solubility ]

SLIGHTLY SOLUBLE
[BRN ]

2614004
[InChI]

InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
[InChIKey]

LEGPZHPSIPPYIO-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC=CC(OC)=C1
[LogP]

1.500
[CAS DataBase Reference]

1798-09-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetic acid, 3-methoxy-(1798-09-0)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

AI8940000
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29189090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid, 2-methoxy-, (3-methoxyphenyl)methyl ester-->Benzenemethanaminium,3-methoxy-N,N,N-trimethyl-, iodide (1:1)-->Bicyclo[4.2.0]octa-1,3,5-trien-7-one, 5-methoxy--->3-Methoxybenzyl chloride-->3-VINYLANISOLE 97-->METHYL 3-METHOXYPHENYLACETATE-->3-METHOXYPHENETHYL ALCOHOL-->3-METHOXYBENZYL BROMIDE-->m-Anisyl alcohol
[Preparation Products]

3-METHOXYPHENYLACETYL CHLORIDE-->ETHYL 3-METHOXYPHENYLACETATE-->2-(3-METHOXYPHENYL)MALONDIALDEHYDE-->2-(3-Methoxyphenyl)-N-propylacetamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methoxyphenylacetic acid(1798-09-0).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

A fluorimetric method for the estimation of 4-hydroxy-3-methoxyphenylacetic acid (homovanillic acid) has been developed and applied to normal brain tissue. The presence of homovanillic acid in the caudate nucleus of normal animals of several species has been demonstrated.
[Definition]

ChEBI: 3-Methoxyphenylacetic acid is a monocarboxylic acid.
[Purification Methods]

Crystallise the acid from H2O, or aqueous EtOH. The S-benzylisothiuronium salt has m 160-161o (from EtOH). [Beilstein 10 I 82, 10 III 428, 10 IV 541.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methoxyphenylacetic acid(1798-09-0)MS
3-Methoxyphenylacetic acid(1798-09-0)1HNMR
3-Methoxyphenylacetic acid(1798-09-0)13CNMR
3-Methoxyphenylacetic acid(1798-09-0)IR1
3-Methoxyphenylacetic acid(1798-09-0)IR2
3-Methoxyphenylacetic acid(1798-09-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methoxyphenylacetic acid, 99.5%(1798-09-0)
[Alfa Aesar]

3-Methoxyphenylacetic acid, 97%(1798-09-0)
[Sigma Aldrich]

1798-09-0(sigmaaldrich)
[TCI AMERICA]

3-Methoxyphenylacetic Acid,>98.0%(T)(1798-09-0)
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