3,4,4-trimethylpentanoic acid

Modify Date: 2025-08-27 16:58:01

3,4,4-trimethylpentanoic acid Structure
3,4,4-trimethylpentanoic acid structure
 Common Name 3,4,4-trimethylpentanoic acid
CAS Number 75177-71-8 Molecular Weight 144.21100
Density 0.926g/cm3 Boiling Point 223.8ºC at 760 mmHg
Molecular Formula C8H16O2 Melting Point N/A
MSDS N/A Flash Point 99.4ºC

 Names

Name 3,4,4-trimethylpentanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.926g/cm3
Boiling Point 223.8ºC at 760 mmHg
Molecular Formula C8H16O2
Molecular Weight 144.21100
Flash Point 99.4ºC
Exact Mass 144.11500
PSA 37.30000
LogP 2.14330
Index of Refraction 1.434
InChIKey WLBGHZBIFQNGCH-UHFFFAOYSA-N
SMILES CC(CC(=O)O)C(C)(C)C

 Synthetic Route

butyrolactone structure

butyrolactone

CAS#:3068-88-0

TERT-BUTYLMAGNESIUM CHLORIDE structure

TERT-BUTYLMAGNE...

CAS#:677-22-5

~83%

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Sato, Toshio; Kawara, Tatsuo; Kawashima, Masatoshi; Fujisawa, Tamotsu Chemistry Letters, 1980 , p. 571 - 574
Crotonic acid structure

Crotonic acid

CAS#:107-93-7

Tert-Butyllithium structure

Tert-Butyllithium

CAS#:594-19-4

~66%

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Aurell, Maria Jose; Mestres, Ramon; Munoz, Elena Tetrahedron Letters, 1998 , vol. 39, # 35 p. 6351 - 6354
Crotonic acid structure

Crotonic acid

CAS#:107-93-7

Tert-Butyllithium structure

Tert-Butyllithium

CAS#:594-19-4

~68%

3-Butenoic acid structure

3-Butenoic acid

CAS#:625-38-7

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Aurell, Maria Jose; Domingo, Luis Ramon; Mestres, Ramon; Munos, Elena; Zaragoza, Ramon Jose Tetrahedron, 1999 , vol. 55, # 3 p. 815 - 830
3,4,4-trimethylpentanal structure

3,4,4-trimethyl...

CAS#:37179-52-5

~71%

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Azzena, Ugo; Luisi, Pier Luigi; Suter, Ulrich W.; Gladiali, Serafino Helvetica Chimica Acta, 1981 , vol. 64, # 8 p. 2821 - 2829
2-(3,3-dimethylbutan-2-yl)malononitrile structure

2-(3,3-dimethyl...

CAS#:110497-35-3

~%

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Giese, B.; Harnisch, H.; Lachhein, S. Synthesis, 1983 , # 9 p. 733
butyrolactone structure

butyrolactone

CAS#:3068-88-0

~%

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Kawashima, Masatoshi; Sato, Toshio; Fujisawa, Tamotsu Tetrahedron, 1989 , vol. 45, # 2 p. 403 - 412
N/A structure

N/A

CAS#:21797-56-8

~%

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Newman; Rosher Journal of Organic Chemistry, 1944 , vol. 9, p. 221,224
Crotonic acid structure

Crotonic acid

CAS#:3724-65-0

~%

3,4,4-trimethylpentanoic acid Structure

3,4,4-trimethyl...

CAS#:75177-71-8

Literature: Wotiz et al. Journal of the American Chemical Society, 1953 , vol. 75, p. 6342

 Synonyms

3,4,4-Trimethyl-valeriansaeure
3-Methylneopentylacetic acid
Pentanoic acid,3,4,4-trimethyl
3,4,4-trimethyl-pentanoic acid
3,4,4-trimethyl-valeric acid
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Related Compounds: More...
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(E)-4-chloro-2-(chloromethylene)-3,3,4-trimethylpentanoic acid
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