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8.01336

Sigma-Aldrich

Pivalic acid

for synthesis

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Synonym(s):
Pivalic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, Trimethylacetic acid
Linear Formula:
(CH3)3CCOOH
CAS Number:
75-98-9
Molecular Weight:
102.13
MDL number:
MFCD00004194
UNSPSC Code:
12352106
EC Index Number:
200-922-5
NACRES:
NA.22

vapor pressure

0.85 hPa ( 20 °C)

Quality Level

200

form

crystals

potency

900 mg/kg LD50, oral (Rat)
1900 mg/kg LD50, skin (Rat)

expl. lim.

1.6 % (v/v)

mp

32-35 °C

transition temp

flash point 64 °C

solubility

25 g/L

density

0.91 g/cm3 at 20 °C

storage temp.

2-30°C

InChI

1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)

InChI key

IUGYQRQAERSCNH-UHFFFAOYSA-N

Related Categories

Application


  • Regiodivergent synthesis involving pivalic acid: A ligand-controlled regiodivergent C-H alkenylation process using pivalic acid, advancing the synthesis of complex indazoles and potentially impacting pharmaceutical compound development (Kim et al., 2017).

  • Pivalic acid in radiochemical syntheses: The study utilized pivalic acid derivatives for the synthesis of novel radioiodinated pharmaceuticals for hypoxia imaging, highlighting its utility in diagnostic and therapeutic applications in the medical field (Elsaidi et al., 2019).

  • Capillary electrophoretic applications of pivalic acid: Research explored new methods of cationic electrophoretic focusing using pivalic acid for high-sensitivity analysis of water contaminants, providing insights into environmental monitoring techniques (Malá and Gebauer, 2022).

  • Cyclative coupling using pivalic acid: Zhuang et al. described a novel cyclative C-H/C-H coupling technique facilitated by pivalic acid, which rapidly constructs complex molecular frameworks like tetralin and chromane, useful in drug discovery and development (Zhuang et al., 2021).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 - H315 - H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

147.2 °F - closed cup

Flash Point(C)

64 °C - closed cup

Certificates of Analysis (COA)

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