(2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid

Basic Information

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CAS Number

14375-45-2

Molecular Formula

C15H20O4

Molecular Weight

264.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

186-188 °C

Boiling Point

458.74 ℃ at 760 mmHg

Density

1.1930

Flash Point

120°C

Solubility

methanol: 50 mg/mL, may be clear to slightly hazy

SMILES

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CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C

InChI

InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-

InChIKey

JLIDBLDQVAYHNE-LXGGSRJLSA-N

LogP

2.2499000000000002

Topological Polar Surface Area

74.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

494

Safety Information

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Sensitiveness

Light Sensitive

Synonyms & References

English

2-cis,4-trans-Abscisic acid
NCGC00017240-06
Abszisinsaeure
NCGC00091094-02
(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid
DTXCID9010604
SPECTRUM1502234
NSC-759648
AC-34824
acido abscisico
2,4-pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-
(+/-)-Aba
CCG-38879
PBI-57
2-(cis),4-(trans)-Abscisic acid
NCGC00017240-05
NSC759648
AS-74552
2-cis-abscisic acid
Tox21_201137
(S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid
A0792
BSPBio_002916
AKOS037647713
CHEMBL379808
(+/-)-Abscisic acid, BioReagent, plant cell culture tested, >=98.5% (HPLC)
NCGC00017240-07
( inverted exclamation markA)-Abscisic acid
14375-45-2
13F617B4-6D52-4DAF-ADA1-A7FE2B84E828
Abscisinsaeure

MDL Number

MFCD00075619

Customs Code

3822009000

FAQ

What is (2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid (CAS: 14375-45-2)?

This compound, with the CAS number 14375-45-2, is a complex organic molecule characterized by a conjugated diene system and a cyclic structure. It has the chemical formula C16H26O4 and is known for its unique combination of hydroxy, keto, and methyl functional groups. It is typically a colorless solid with a high melting point and is used in various specialized applications due to its chemical reactivity and structural complexity.

What are the main uses of (2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid (CAS: 14375-45-2)?

This compound is primarily used in pharmaceutical research for its potential biological activities, such as anti-inflammatory and antioxidant properties. It also finds application in organic synthesis as a building block for more complex molecules. Additionally, it is studied in chemical research for its structural features and reactivity in various reaction mechanisms, making it relevant in the development of new drugs and materials.

Is (2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid (CAS: 14375-45-2) safe?

The safety of this compound depends on its handling and exposure conditions. It is generally considered safe when used in controlled laboratory environments, but proper protective measures such as gloves, goggles, and ventilation should be taken. As with many organic compounds, it may have potential toxicity if ingested or inhaled, and adherence to safety standards is recommended during its use and disposal.

How should (2Z,4E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid (CAS: 14375-45-2) be stored?

This compound should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture and light exposure. Proper storage is essential to prevent degradation and ensure its effectiveness for research or industrial applications.