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42287-87-6

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42287-87-6 Structure

42287-87-6 Structure
IdentificationBack Directory
[Name]

3-(3,5-DIMETHYLPHENYL)PROPANOIC ACID
[CAS]

42287-87-6
[Synonyms]

3,5-Dimethylbenzenepropanoic acid
Benzenepropanoic acid, 3,5-dimethyl-
3-(3,5-DIMETHYLPHENYL)PROPANOIC ACID
3-(3,5-Dimethyl-phenyl)-propionic acid
3-(3,5-dimethylphenyl)propanoic acid(SALTDATA: FREE)
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD09055207
[MOL File]

42287-87-6.mol
[Molecular Weight]

178.23
Chemical PropertiesBack Directory
[Melting point ]

45-46.5 °C
[Boiling point ]

168-178 °C(Press: 13 Torr)
[density ]

1.074±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

4.71±0.10(Predicted)
[InChI]

1S/C11H14O2/c1-8-5-9(2)7-10(6-8)3-4-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
[InChIKey]

CCPNDKXTGJGIIV-UHFFFAOYSA-N
[SMILES]

O=C(O)CCC1=CC(C)=CC(C)=C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
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