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77026-92-7

77026-92-7 Structure

77026-92-7 Structure
IdentificationBack Directory
[Name]

(+/-)-JASMONIC ACID
[CAS]

77026-92-7
[Synonyms]

(+/-)-JASMONIC ACID
trans-Jasmonic Acid
(-)-JASMONIC ACID 98% (HPLC)
(±)-JASMONIC ACID 95% (HPLC)
3-OXO-2-(2-PENTENYL)CYCLOPENTANEACETIC ACID
{3-Oxo-2-[2-pentenyl]cyclopentyl}acetic acid
3-(CARBOXYMETHYL)-2-(2-PENTENYL)CYCLOPENTANONE
(±)-1α,2β-3-oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid
(1R,2R)-rel-3-Oxo-2-(2Z)-2-pentenylcyclopentaneacetic acid
[+/-]-1ALPHA,2BETA-3-OXO-2-[CIS-2-PENTENYL]CYCLOPENTANEACETIC ACID
(±)-Jasmonic acid,(±)-1α,2β-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid
3-(Carboxymethyl)-2-(2-pentenyl)cyclopentanone 3-Oxo-2-(2-pentenyl)cyclopentaneacetic Acid
[Molecular Formula]

C12H18O3
[MDL Number]

MFCD00189365
[MOL File]

77026-92-7.mol
[Molecular Weight]

210.27
Chemical PropertiesBack Directory
[Appearance]

colourless to light yellow liquid
[Boiling point ]

160C
[density ]

1.07
[storage temp. ]

2-8°C
[solubility ]

DMF: >25 mg/ml (from Cucurbic Acid); DMSO: >16 mg/ml (from Cucurbic Acid); Ethanol: >30 mg/ml (from Cucurbic Acid); PBS pH 7.2: >3 mg/ml (from Cucurbic Acid)
[form ]

neat
[pka]

4.52±0.10(Predicted)
[color ]

Colorless to light yellow
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[Merck ]

5260
[Major Application]

food and beverages
[InChI]

InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/s3
[InChIKey]

ZNJFBWYDHIGLCU-XDYKBSRKNA-N
[SMILES]

[C@H]1(CC(O)=O)CCC(=O)[C@@H]1C/C=C\CC |&1:0,9,r|
Hazard InformationBack Directory
[Chemical Properties]

colourless to light yellow liquid
[Uses]

A major constituent of essential oil of Jasmine. Used by the fragrance industry. This product is a clear, colorless to very light yellow oil that adheres to the surface of the vial.
[Definition]

ChEBI: Jasmonic acid is an oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. It has a role as a plant metabolite and a member of jasmonates. It is a conjugate acid of a jasmonate(1-). It is an enantiomer of a (+)-jasmonic acid.
[General Description]

(±)-Jasmonic acid is a plant lipid derivative and a naturally available growth regulator found in higher plants.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Spectrum DetailBack Directory
[Spectrum Detail]

(±)-JASMONICACID(77026-92-7)1HNMR
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