ChemicalBook--->CAS DataBase List--->114012-41-8

114012-41-8

114012-41-8 Structure

114012-41-8 Structure
IdentificationBack Directory
[Name]

3-OXETANECARBOXYLIC ACID
[CAS]

114012-41-8
[Synonyms]

Oxetane-3-carboxylicaci
3-OXETANECARBOXYLIC ACID
Oxetane-3-carboxylicacid,95%
[Molecular Formula]

C4H6O3
[MDL Number]

MFCD08669505
[MOL File]

114012-41-8.mol
[Molecular Weight]

102.089
Chemical PropertiesBack Directory
[Boiling point ]

244℃
[density ]

1.374
[refractive index ]

1.492
[Fp ]

115°(239°F)
[storage temp. ]

?20°C
[form ]

liquid
[pka]

3.88±0.20(Predicted)
[Appearance]

white to yellow oil or semi-solid
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Air Sensitive
[InChI]

InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)
[InChIKey]

UWOTZNQZPLAURK-UHFFFAOYSA-N
[SMILES]

O1CC(C(O)=O)C1
[CAS DataBase Reference]

114012-41-8
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H318
[Precautionary statements ]

P280-P301+P312+P330-P305+P351+P338+P310
[Hazard Codes ]

Xn
[Risk Statements ]

22-41
[Safety Statements ]

26-39
[WGK Germany ]

3
[HS Code ]

29329990
Hazard InformationBack Directory
[Uses]

Oxetane-3-carboxylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
[Synthesis]

3-Oxetanecarboxylic acid was prepared from methyl 3-hydroxy-2-(hydroxymethyl)propionate by protecting group, ring closure and hydrolysis.
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