ChemicalBook--->CAS DataBase List--->98-78-2

98-78-2

98-78-2 Structure

98-78-2 Structure
IdentificationMore
[Name]

3-Oxocyclopentanecarboxylic acid
[CAS]

98-78-2
[Synonyms]

3-OXO-1-CYCLOPENTANECARBOXYLIC ACID
3-OXOCYCLOPENTANE-1-CARBOXYLIC ACID
3-OXOCYCLOPENTANECARBOXYLIC ACID
[(4-Methyl-2-pyrimidinyl)sulfanyl]acetic acid
[Molecular Formula]

C6H8O3
[MDL Number]

MFCD01320173
[Molecular Weight]

128.13
[MOL File]

98-78-2.mol
Chemical PropertiesBack Directory
[Melting point ]

59-62 °C (lit.)
[Boiling point ]

150°C/1.5mmHg(lit.)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[pka]

4.62±0.20(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)
[InChIKey]

RDSNBKRWKBMPOP-UHFFFAOYSA-N
[SMILES]

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

98-78-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29183000
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Oxo-1-cyclopentanecarboxylic acid(98-78-2).msds
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

3-Oxo-1-cyclopentanecarboxylic acid is a useful chemical reagent.
[Definition]

ChEBI: 3-oxocyclopentanecarboxylic acid is an alicyclic ketone that is oxocyclopentanone substituted at position 3 by a carboxy group. It is a 4-oxo monocarboxylic acid and an alicyclic ketone. It is a conjugate acid of a 3-oxocyclopentanecarboxylate.
[General Description]

3-Oxo-1-cyclopentanecarboxylic acid , also known as 3-oxocyclopentanecarboxylic acid, is a keto acid derivative. It undergoes Curtius rearrangement with diphenyl phosphoryl azide and triethylamine in tert-butanol to form the corresponding boc-protected 1-(3-oxo)urea derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Oxocyclopentanecarboxylic acid(98-78-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

98-78-2(sigmaaldrich)
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