ChemicalBook--->CAS DataBase List--->3572-64-3

3572-64-3

3572-64-3 Structure

3572-64-3 Structure
IdentificationBack Directory
[Name]

3-oxo-2-pentylcyclopentaneacetic acid
[CAS]

3572-64-3
[Synonyms]

Einecs 222-687-8
(±)-9,10-DIHYDROJASMONIC ACID (DJA)
Cyclopentaneacetic acid, 3-oxo-2-pentyl-
2-Pentyl-3-oxocyclopentane-1-acetic acid
2-Amyl-3-(carboxymethyl)cyclopentanone 2-Amyl-3-oxocyclopentaneacetic Acid 3-(Carboxymethyl)-2-pentylcyclopentanone 3-Oxo-2-pentylcyclopentaneacetic Acid
[EINECS(EC#)]

222-687-8
[Molecular Formula]

C12H20O3
[MDL Number]

MFCD18781916
[MOL File]

3572-64-3.mol
[Molecular Weight]

212.29
Chemical PropertiesBack Directory
[Boiling point ]

361.9±15.0 °C(Predicted)
[density ]

1.038±0.06 g/cm3(Predicted)
[refractive index ]

1.4700-1.4750
[storage temp. ]

<0°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

4.52±0.10(Predicted)
[color ]

Colourless
[InChI]

1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)
[InChIKey]

PQEYTAGBXNEUQL-UHFFFAOYSA-N
[SMILES]

O=C1C(CCCCC)C(CC1)CC(O)=O
[EPA Substance Registry System]

Cyclopentaneacetic acid, 3-oxo-2-pentyl- (3572-64-3)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[HS Code ]

2915.90.5050
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(±)-9,10-Dihydrojasmonic Acid can be used as analyte in biological and analytical study for UHPLC-MS/MS based target profiling of stress-induced phytohormones including jasmonic acid and its precursors and amino acid conjugates.
[Definition]

ChEBI: 9,10-Dihydrojasmonic acid is a member of Jasmonate derivatives. It is functionally related to a jasmonic acid.
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