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7021-09-2

7021-09-2 Structure

7021-09-2 Structure
IdentificationMore
[Name]

DL-alpha-Methoxyphenylacetic acid
[CAS]

7021-09-2
[Synonyms]

2-METHOXY-2-PHENYLACETIC ACID
(+/-)-ALPHA-METHOXYPHENYLACETIC ACID
ALPHA-METHOXYPHENYLACETIC ACID
DL-ALPHA-METHOXYPHENYLACETIC ACID
DL-A-METHOXYPHENYLACETIC ACID
DL-METHOXYPHENYLACETIC ACID
DL-O-METHYLMANDELIC ACID
O-METHYL-DL-MANDELIC ACID
Benzeneacetic acid, alpha-methoxy-, (±
Benzeneacetic acid, alpha-methoxy-, (.+/-.)-
(+-)-A-METHOXYPHENYLACETIC ACID
(±)-α-Methoxyphenylacetic acid, O-Methyl-DL-mandelic acid
rac-(R*)-Methoxyphenylacetic acid
rac-(αR*)-α-Methoxybenzeneacetic acid
[EINECS(EC#)]

230-300-9
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00064217
[Molecular Weight]

166.17
[MOL File]

7021-09-2.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to light beige crystalline powder
[Melting point ]

69-71 °C(lit.)
[Boiling point ]

165 °C18 mm Hg(lit.)
[density ]

1.1708 (rough estimate)
[refractive index ]

1.5500 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Ethanol,Chloroform,Acetone,Methanol,Ether
[form ]

crystalline
[pka]

3.10±0.10(Predicted)
[color ]

white
[BRN ]

2209197
[InChI]

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

DIWVBIXQCNRCFE-UHFFFAOYSA-N
[SMILES]

C1(C=CC=CC=1)C(OC)C(=O)O
[CAS DataBase Reference]

7021-09-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, methoxyphenyl(7021-09-2)
[EPA Substance Registry System]

7021-09-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

29189900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Petroleum ether-->Benzene-->Dimethyl sulfate-->DL-Mandelic acid-->2,2,2-Trichloro-1-phenylethanol-->2-Bromo-2-phenylacetic acid-->Sodium Methoxide
[Preparation Products]

(R)-(-)-alpha-Methoxyphenylacetic acid
Hazard InformationBack Directory
[Chemical Properties]

off-white to light beige crystalline powder
[Uses]

α-Methoxyphenylacetic acid has been used in the enantioresolution of two diastereomeric esters by HPLC.
[Uses]

DL-alpha-Methoxyphenylacetic acid has been used in the enantioresolution of two diastereomeric esters by HPLC.
[Definition]

ChEBI:DL-alpha-Methoxyphenylacetic acid is a benzyl ether.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 82, p. 4062, 1960 DOI: 10.1021/ja01500a061
[General Description]

Enantiomers of α-methoxyphenylacetic acid has been resolved as amide derivatives on chiral statinary phases by HPLC. α-Methoxyphenylacetic acid is also known as Trost′s chiral acid.
Spectrum DetailBack Directory
[Spectrum Detail]

DL-alpha-Methoxyphenylacetic acid(7021-09-2)MS
DL-alpha-Methoxyphenylacetic acid(7021-09-2)1HNMR
DL-alpha-Methoxyphenylacetic acid(7021-09-2)13CNMR
DL-alpha-Methoxyphenylacetic acid(7021-09-2)IR1
DL-alpha-Methoxyphenylacetic acid(7021-09-2)IR2
DL-alpha-Methoxyphenylacetic acid(7021-09-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-alpha-Methoxyphenylacetic acid, 99%(7021-09-2)
[Sigma Aldrich]

7021-09-2(sigmaaldrich)
[TCI AMERICA]

DL-alpha-Methoxyphenylacetic Acid,>98.0%(GC)(T)(7021-09-2)
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