5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid | CAS No. 53980-88-4

5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid

Basic Information

CAS Number

53980-88-4

Molecular Formula

C21H36O4

Molecular Weight

352.52 g/mol

AD

Basic Physical Properties

Boiling Point

515.1°Cat760mmHg

Density

1.016

Flash Point

279.4°C

Refractive Index

1.488

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O

InChI

InChI=1S/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)

InChIKey

RYKIXDBAIYMFDV-UHFFFAOYSA-N

LogP

5.665200000000005

Topological Polar Surface Area

74.6 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

416

Synonyms & References

English

  • FT-0777811
  • EINECS 258-897-1
  • 5-Carboxy-4-hexylcyclohex-2-ene-1-octanoic acid
  • 5(6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
  • Cyclocarboxypropyloleic acid
  • UNII-SWI7TZX7JS
  • 5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
  • 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-
  • DTXSID90880414
  • 53980-88-4
  • UNII-FG93I77V75
  • FG93I77V75
  • C21-Dicarboxylic acid
  • Q27277967
  • 1-Carboxy-2-hexyl-5-(7-carboxyheptyl)cyclohex-3-ene
  • (+/-)-5-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid
  • 42763-47-3
  • SCHEMBL3367340
  • W-111080
  • 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid
  • 2-cyclohexene-1-octanoic acid, 5-carboxy-4-hexyl-
  • SWI7TZX7JS
  • 5(Or 6)-carboxy-4-hexylcyclohex-2-ene-1-octanoic acid
  • NS00013542
  • 8-(5-Carboxy-4-hexyl-2-cyclohexen-1-yl)octanoic acid
  • 2-Cyclohexene-1-octanoicacid, 5(or 6)-carboxy-4-hexyl-
  • 2,3,-DICARBOXYLIC ACID
  • 5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid
  • 5(or 6)-Carboxy-4-hexyl-2-cyclohexene-1-octanoic acid

MDL Number

MFCD12756290

FAQ

What are the physical and chemical properties of 5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid (CAS: 53980-88-4)?

5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid is a white crystalline solid with a molecular weight of approximately 362.45 g/mol. It is slightly soluble in common solvents like ethanol and acetone. The compound exhibits typical reactivity of carboxylic acids and cyclohexene derivatives, making it prone to esterification and reduction reactions.

How is 5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid (CAS: 53980-88-4) typically synthesized?

5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid can be synthesized through a multi-step process involving a Wittig reaction followed by a carboxylation step. Commonly used catalysts include triphenylphosphine and phosphoric acid. The yield is generally moderate, around 70-80%, with good selectivity to the desired product.

What industries use 5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid (CAS: 53980-88-4)?

5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid is utilized in the pharmaceutical industry for the synthesis of certain biologically active compounds. It also finds applications in the polymer industry as a monomer or additive. Additionally, it is used in the development of sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid (CAS: 53980-88-4)?

When handling 5-(7-Carboxyheptyl)-2-hexyl-3-cyclohexene-1-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbents. For detailed safety information, refer to the Safety Data Sheet (SDS).

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