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5894-79-1

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5894-79-1 Structure

5894-79-1 Structure
IdentificationBack Directory
[Name]

METHYL A-FORMYLPHENYLACETATE
[CAS]

5894-79-1
[Synonyms]

Ipratropium Impurity 11
methyl formylphenylacetate
α-forMyl acid Methyl ester
Mthyl A-Formylphenylacetate
Methyl 2-formylphenylacetate
METHYL A-FORMYLPHENYLACETATE
Ipratropium Bromide Impurity 8
methyl 3-oxo-2-phenylpropanoate
methyl 3-oxo-2-phenyl-propanoate
α-Formylbenzeneacetic acid methyl ester
2-Phenyl-3-oxopropionic acid methyl ester
3-keto-2-phenyl-propionic acid methyl ester
Benzeneacetic acid, α-formyl-, methyl ester
[EINECS(EC#)]

227-577-3
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD00236385
[MOL File]

5894-79-1.mol
[Molecular Weight]

178.19
Chemical PropertiesBack Directory
[Melting point ]

104 °C
[Boiling point ]

135-136 °C(Press: 14 Torr)
[density ]

1.136±0.06 g/cm3(Predicted)
[pka]

6.84±0.29(Predicted)
[InChI]

InChI=1S/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,9H,1H3
[InChIKey]

ORJFSDFCHJQCOH-UHFFFAOYSA-N
[SMILES]

C(C1C=CC=CC=1)(C=O)C(=O)OC
[EPA Substance Registry System]

Benzeneacetic acid, .alpha.-formyl-, methyl ester (5894-79-1)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

2918300090
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