Pivalic acid - CAS 75-98-9

Catalog:	BB035459
Product Name:	Pivalic acid
CAS:	75-98-9
Synonyms:	2,2-dimethylpropanoic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,2-dimethylpropanoic acid
Description:	Pivalic acid (CAS# 75-98-9) is a useful research chemical.
Molecular Weight:	102.13
Molecular Formula:	C5H10O2
Canonical SMILES:	CC(C)(C)C(=O)O
InChI:	InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChI Key:	IUGYQRQAERSCNH-UHFFFAOYSA-N
Boiling Point:	163-164 °C
Melting Point:	91 to 95 °F
Flash Point:	147.2 °F
Density:	0.905 g/cm³
Appearance:	Colorless cyrstals
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00004194
LogP:	1.11710
Vapor Pressure:	1.82 [mmHg]

Publication Number	Title	Priority Date
CN-109962089-A	The manufacturing method of wavelength convert substrate	20171225
CN-109557765-A	Photosensitive polymer combination, cured film, display device and pattern forming method	20170926
CN-107974101-A	Colorant dispersion, photosensitive polymer combination and its manufacture method, solidfied material, organic EL element and pattern formation method	20161025
CN-107976866-A	Photosensitive composite, the manufacture method of photosensitive composite, the preparation method of Photoepolymerizationinitiater initiater and Photoepolymerizationinitiater initiater	20161024
CN-107976867-A	The forming method of photosensitive composite and cured film	20161024

PMID	Publication Date	Title	Journal
22917488	20120921	Cu-catalyzed reaction of 1,2-dihalobenzenes with 1,3-cyclohexanediones for the synthesis of 3,4-dihydrodibenzo[b,d]furan-1(2H)-ones	The Journal of organic chemistry
22928611	20120921	C-H bond functionalization under metalation-deprotonation process: regioselective direct arylation of 3-aminoimidazo[1,2-a]pyrazine	The Journal of organic chemistry
22946756	20120921	Fast Pd- and Pd/Cu-catalyzed direct C-H arylation of cyclic nitrones. Application to the synthesis of enantiopure quaternary α-amino esters	The Journal of organic chemistry
22790609	20120901	Biosynthesis and metabolic pathways of pivalic acid	Applied microbiology and biotechnology
22798972	20120701	A Comprehensive Review of Clocortolone Pivalate 0.1% Cream: Structural Development, Formulation Characteristics, and Studies Supporting Treatment of Corticosteroid-responsive Dermatoses	The Journal of clinical and aesthetic dermatology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	78.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.068079557
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	102.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5