ChemicalBook--->CAS DataBase List--->181425-91-2

181425-91-2

181425-91-2 Structure

181425-91-2 Structure
IdentificationBack Directory
[Name]

DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE
[CAS]

181425-91-2
[Synonyms]

Diethyl 5-(hydroxyMethyl)isophthalate 98%
1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-, 1,3-diethyl ester
[Molecular Formula]

C13H16O5
[MDL Number]

MFCD00239424
[MOL File]

181425-91-2.mol
[Molecular Weight]

252.26
Chemical PropertiesBack Directory
[Melting point ]

82-85 °C(lit.)
[Boiling point ]

398.6±37.0 °C(Predicted)
[density ]

1.189±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

solid
[pka]

14.25±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C13H16O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7,14H,3-4,8H2,1-2H3
[InChIKey]

AMRPMZYDTZVKTP-UHFFFAOYSA-N
[SMILES]

CCOC(=O)c1cc(CO)cc(c1)C(=O)OCC
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

23-26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL 5-(HYDROXYMETHYL)ISOPHTHALATE(181425-91-2)1HNMR
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