6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid | CAS No. 68891-50-9

6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid

Basic Information

CAS Number

68891-50-9

Molecular Formula

C13H20O5

Molecular Weight

256.3 g/mol

AD

Basic Physical Properties

Physical State

slab/chunk

Density

1 g/mL at 25 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.516(lit.)

C=CC=C.C=CC#N.C=CC(=O)O

InChI

InChI=1S/C13H20O5/c1-13(2,7-14)8-18-12(17)10-6-4-3-5-9(10)11(15)16/h3-4,9-10,14H,5-8H2,1-2H3,(H,15,16)

InChIKey

KCUGXVQRQBKXBO-UHFFFAOYSA-N

LogP

1.2151

Topological Polar Surface Area

83.83 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

132

Synonyms & References

English

  • 25265-19-4
  • PBAN (binder)
  • SCHEMBL1615981
  • 68891-50-9
  • PBAN
  • PBAN-560
  • buta-1,3-diene;prop-2-enenitrile;prop-2-enoic acid
  • buta-1, 3-diene;prop-2-enenitrile;prop-2-enoic acid
  • 2-Propenoic acid, polymer with 1,3-butadiene and 2-propenenitrile, 3-carboxy-1-cyano-1-methylpropyl-terminated
  • 2-Propenoic acid, polymer with 1,3-butadiene and 2-propenenitrile, 3-carboxy-1-cyano-1-methylp...
  • 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carbo xylic acid
  • POLY(BUTADIENE-CO-ACRYLONITRILE), DICARBOXY TERMINATED, APPROXMW 17,000
  • Carboxyl terminated polybutadiene acrylonitrile

FAQ

What regulatory guidelines apply to 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9)?

Regulatory guidelines for 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9) include GHS classification for hazardous chemicals, REACH regulations for registration, evaluation, authorization, and restriction of chemicals in the European Union, and FDA/EPA guidelines for safety and environmental protection. It is important to follow local and international regulations for its handling and disposal.

Are there alternatives to 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9) in synthesis?

When considering alternatives to 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9) in synthesis, one might explore similar compounds with comparable reactivity, such as other carboxylic acids or derivatives. Common alternative reagents include acetic anhydride or other cyclic acids, which can serve as functional group equivalents in organic synthesis.

What is the market or research trend for 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9)?

The market and research trends for 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9) are focused on its applications in pharmaceuticals and materials science. Recent studies are exploring its role as a key intermediate in the synthesis of complex molecules and its potential in polymer chemistry. Prices and demand are expected to remain stable with increasing research interest.

How should waste containing 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9) be handled?

Waste containing 6-[(3-Hydroxy-2,2-dimethylpropoxy)carbonyl]-3-cyclohexene-1-carboxylic acid (CAS: 68891-50-9) should be collected in appropriate containers and treated for neutralization or incineration by a licensed professional. Ensure proper environmental protection precautions, such as spill containment and use of personal protective equipment, to prevent contamination and ensure safe disposal in accordance with local regulations.

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