7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)heptanoic acid

Basic Information

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CAS Number

112665-43-7

Molecular Formula

C22H26O4

Molecular Weight

354.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

126.0 to 130.0 deg-C

Boiling Point

288.592°C at 760 mmHg

Density

1.14

Flash Point

283.8 °C

Refractive Index

1.584

SMILES

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CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)

InChIKey

ZBVKEHDGYSLCCC-UHFFFAOYSA-N

LogP

4.610000000000005

Topological Polar Surface Area

71.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

633

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BCP08860
(+-)-2,4,5-Trimethyl-3,6-dioxo-zeta-phenyl-1,4-cyclohexadiene-1-heptanoic acid
Pharmakon1600-01502336
DTXSID4021397
SERATRODAST [MI]
CHEBI:32126
Seratrodast [USAN:INN]
Seratrodast(AA-2414, ABT-001)
SERATRODAST [JAN]
4U58JM421N
HMS3748I13
Seratrodast (JAN/USAN/INN)
SERATRODAST [INN]
BS164397
DB06739
7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)heptanoic acid
AA-2414
NSC759640
(+/-)-2,4,5-TRIMETHYL-3,6-DIOXO-.ZETA.-PHENYL-1,4-CYCLOHEXADIENE-1-HEPTANOIC ACID
7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
SERATRODAST
AB01563274_01
J-002813
D01123
(+/-)-2,4,5-Trimethyl-3,6-dioxo-zeta-phenyl-1,4-cyclohexadiene-1-heptanoic acid
Seratrodast, >=98% (HPLC)
112665-43-7
A802627
Tox21_112774
(+/-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic Acid
FT-0631064

MDL Number

MFCD00875701

Customs Code

29309070

FAQ

What is 7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)heptanoic acid (CAS: 112665-43-7)?

7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)heptanoic acid is a complex organic compound with the CAS number 112665-43-7. It is characterized by its unique molecular structure, which includes a phenyl ring and a 1,4-cyclohexadiene-1,4-dione group attached to a heptanoic acid moiety.

What are the main uses of 7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)heptanoic acid (CAS: 112665-43-7)?

This compound is primarily used in pharmaceuticals for developing specialized drugs and in research for studying molecular interactions. It may also have applications in the production of certain chemical intermediates and as a starting material for synthesizing other compounds.

Is 7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)heptanoic acid (CAS: 112665-43-7) safe?

When handled properly, 7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)heptanoic acid is generally safe. However, it is important to follow all safety guidelines, including wearing appropriate personal protective equipment (PPE), avoiding contact with skin and eyes, and ensuring proper ventilation. Disposal should be done in accordance with local regulations.

How should 7-Phenyl-7-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)heptanoic acid (CAS: 112665-43-7) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Humidity should be minimized to avoid moisture absorption, which could affect its stability. Storage conditions should be controlled to ensure the compound remains stable for its intended use.