3-TERT-BUTYLADIPIC ACID Chemical Properties

Melting point:

112-115 °C(lit.)

Boiling point:

375.34°C (rough estimate)

Density 

1.103

vapor pressure 

0Pa at 20℃

refractive index 

1.4393 (estimate)

Flash point:

213 °C

pka

4.70±0.10(Predicted)

Water Solubility 

4.89g/L at 20℃

LogP

1.59 at 20℃

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38-36

Safety Statements 

26-36

WGK Germany 

3

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

3-TERT-BUTYLADIPIC ACID Usage And Synthesis

Chemical Properties

white fine crystalline powder

Uses

3-(tert-Butyl)hexanedioic acid is a useful reactant for the synthesis of hexamethylenetetrathiafulvalene derivatives with substituted bulky alkyl groups which are studied for their transistor properties.

Definition

ChEBI: 3-tert-butyladipic acid is a medium-chain fatty acid.

Synthesis Reference(s)

Journal of the American Chemical Society, 99, p. 4405, 1977 DOI: 10.1021/ja00455a032
Synthesis, p. 915, 1988 DOI: 10.1055/s-1988-27754

Flammability and Explosibility

Not classified

Synthesis

The general procedure for synthesizing 3-tert-butyl adipic acid from p-tert-butylcyclohexanol was as follows: the operating conditions were kept the same as those of Example 2, except that the alicyclic secondary alcohol compounds or alicyclic ketone compounds listed in Table 2 were used instead of cyclohexanol as starting materials. The experimental results are detailed in Table 2.

References

[1] Tetrahedron Letters, 2004, vol. 45, # 44, p. 8221 - 8224
[2] Patent: EP1728779, 2006, A1. Location in patent: Page/Page column 6
[3] Patent: US1960211, 1932,
[4] Journal of the American Chemical Society, 1939, vol. 61, p. 2728
[5] Journal of the American Chemical Society, 1951, vol. 73, p. 2540,2542

3-TERT-BUTYLADIPIC ACID(10347-88-3)Related Product Information

• Adipic acid
• 3,5-Di-tert-butylbromobenzene
• 3-Methyladipic acid
• 3-tert-Butyladipic acid bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) ester
• 5,5-DIMETHYLHEXANOIC ACID
• 3-TERT-BUTYLADIPIC ACID
• 4,4-DIMETHYLPENTANOIC ACID