ChemicalBook > CAS DataBase List > Pivalic acid

Pivalic acid

Product Name
Pivalic acid
CAS No.
75-98-9
Chemical Name
Pivalic acid
Synonyms
PivoH;TRIMETHYLACETIC ACID;Propanoic acid, 2,2-dimethyl-;2,2-DIMETHYLPROPANOIC ACID;Pivaloylacid;Neopentanicacid;Dimethylpropionic acid;versatic5;PA)Pivalic;PIVALIC ACID
CBNumber
CB4244051
Molecular Formula
C5H10O2
Formula Weight
102.13
MOL File
75-98-9.mol
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Pivalic acid Property

Melting point:
32-35 °C(lit.)
Boiling point:
163-164 °C(lit.)
Density 
0.889 g/mL at 25 °C(lit.)
vapor density 
3.6 (vs air)
vapor pressure 
9.75 mm Hg ( 60 °C)
refractive index 
1.393
Flash point:
147 °F
storage temp. 
Store below +30°C.
solubility 
25g/l
pka
5.03(at 25℃)
form 
Powder, Crystals and/or Chunks
Specific Gravity
1.121
color 
Yellow to orange to tan
PH
4.04(1 mM solution);3.52(10 mM solution);3.02(100 mM solution)
explosive limit
1.6%(V)
Water Solubility 
25 g/L (20 ºC)
FreezingPoint 
32.0 to 36.0 ℃
Merck 
14,7511
BRN 
969480
InChIKey
IUGYQRQAERSCNH-UHFFFAOYSA-N
LogP
1.480
CAS DataBase Reference
75-98-9(CAS DataBase Reference)
NIST Chemistry Reference
Pivalic acid(75-98-9)
EPA Substance Registry System
Pivalic acid (75-98-9)
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Safety

Hazard Codes 
C
Risk Statements 
21/22-34
Safety Statements 
26-36/37/39-45
RIDADR 
UN 3261 8/PG 2
WGK Germany 
1
RTECS 
TO7700000
TSCA 
Yes
HazardClass 
8
PackingGroup 
II
HS Code 
29159000
Hazardous Substances Data
75-98-9(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 900 mg/kg LD50 dermal Rat 1900 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
T71803
Product name
Pivalic acid
Purity
99%
Packaging
5ml
Price
$34.7
Updated
2024/03/01
Sigma-Aldrich
Product number
T71803
Product name
Pivalic acid
Purity
99%
Packaging
100ml
Price
$38.7
Updated
2024/03/01
Sigma-Aldrich
Product number
8.01336
Product name
Pivalic acid
Purity
for synthesis
Packaging
100mL
Price
$37.5
Updated
2024/03/01
Sigma-Aldrich
Product number
8.01336
Product name
Pivalic acid
Purity
for synthesis
Packaging
1L
Price
$80.6
Updated
2024/03/01
TCI Chemical
Product number
P0461
Product name
Pivalic Acid
Purity
>99.0%(GC)
Packaging
25g
Price
$20
Updated
2024/03/01
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Pivalic acid Chemical Properties,Usage,Production

Chemical Properties

white crystalline low melting mass

Uses

Pivalic acid can be employed:

  • As a co-catalyst with palladium for the arylation of unactivated arenes and N-heterocycles.
  • As an additive to facilitate the carbonylative suzuki reactions to synthesize biaryl ketones from aryl iodides and arylboronic acids by using palladium nanoparticles as catalyst.
  • In the cyclization reaction of benzamides with alkynes to synthesize isoquinolones in the presence of 8-aminoquinoline ligand and cobalt catalyst.

Uses

Valuable building block offered as a solution in dichloromethane for more convenient handling.

Uses

Pivalic Acid is a metabolite of oral cephem (β-lactam) antibiotics such as S-1108, containing pivaloyl moieties.

Definition

ChEBI: Pivalic acid is a branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a short-chain fatty acid. It is a conjugate acid of a pivalate.

Synthesis Reference(s)

Journal of the American Chemical Society, 98, p. 1275, 1976 DOI: 10.1021/ja00421a046
Organic Syntheses, Coll. Vol. 1, p. 524, 1941

General Description

Pivalic acid is a colored crystalline solid of low toxicity that is soluble in water, ethyl alcohol and diethyl ether.

Air & Water Reactions

With mixing, water soluble.

Reactivity Profile

Pivalic acid is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in Pivalic acid to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

Health Hazard

CALL FOR MEDICAL AID. SOLID: Irritating to eyes and skin. Harmful if swallowed. IF IN EYES OR ON SKIN, flush with running water for at least 15 minutes; hold eyelids open if necessary. Wash skin with soap and water. Remove and isolate contaminated clothing and shoes at the site. If SWALLOWED and victim is UNCONSCIOUS OR HAVING CONVULSIONS, do nothing except keep victim warm. Because of low volatility, it is relatively harmless when inhaled at normal ambient temperature (around 20°C). It is slightly toxic by ingestion or skin absorption. The vapor is irritating at elevated temperatures. Can cause considerable discomfort by oral routes; may cause reversible or irreversible changes to exposed tissue, not permanent injury or death.

Fire Hazard

COMBUSTIBLE. Produces vapors irritating to eyes and skin. Decomposes to produce acrid smoke and fumes.

Safety Profile

Moderately toxic by ingestion and skin contact. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Purification Methods

Fractionally distil the acid under reduced pressure, then fractionally crystallise it from its melt. Recrystallise it from *benzene. [Beilstein 2 IV 908.]

Pivalic acid Preparation Products And Raw materials

Raw materials

CARBON MONOXIDE Ameisensure 2-Methyl-1-propanol 2-Chloro-2-methylpropane Isobutylene Formic acid Chloroform Trimethylacetonitrile

Preparation Products

2-TERT-BUTYLPYRIDINE-4-CARBONITRILE 2-tert-Butylpyridine-4-carboxylic acid ,97% Clomazone 3-(3-METHOXYPHENYL)PROPIONIC ACID 3-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID 3-CHLORO-2,2-DIMETHYLPROPIONIC ACID tert-Butyl peroxypivalate Pivaloyl chloride
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View Lastest Price from Pivalic acid manufacturers

Handan Huajun chemicals Co.,Ltd
Product
Pivalic acid 75-98-9
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
5000MT
Release date
2024-03-29
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
Pivalic acid 75-98-9
Price
US $75.00-20.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-06-06
Hebei Weibang Biotechnology Co., Ltd
Product
Pivalic acid 75-98-9
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-11-01

75-98-9, Pivalic acid Related Search:

Folic acid N,N-Dimethylacetamide Trimethylacetonitrile 2,2-Bis(hydroxymethyl)propionic acid 2-Chloropropionic acid Trifluoroacetic anhydride 2,6-Lutidine Poly(dimethylsiloxane) N,N-Dimethylformamide Ethyl 2-(Chlorosulfonyl)acetate Methyl 2,2-dimethylphenylacetate Triacetin Glycyl-glycyl-glycine Iodomethyl pivalate Stearic acid Trifluoroacetic acid Citric acid Glycine Neopentanoic Acid Trimethylacetic Acid

  • 2,2-Dimethylpropansαure
  • PIVALIC ACID (TRIMETHYLACETIC ACID)
  • TRIMETHYLACETIC ACID (PIVALIC ACID)
  • A,A-DIMETHYLPROPIONIC ACID
  • 2,2-Dimethylpropionic acid, Trimethylacetic acid
  • Pivalic acid ,99%
  • PIVALIC ACID CRUDE
  • trimethyl-aceticaci
  • Trimethylessigsαure
  • Trimethylmethanecarboxylicacid
  • versatic5
  • Versatic5acid
  • α,α-Dimethylpropionicacid
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  • TriMethylacetic acid, 99% 100GR
  • TriMethylacetic acid, 99% 500GR
  • PIVALIC ACID FOR SYNTHESIS 100 ML
  • PIVALIC ACID FOR SYNTHESIS 1 L
  • PA)Pivalic
  • Pivalic acid 99%
  • 2.2-DiMethylpr
  • ALPHA,ALPHA-DIMETHYLPROPIONIC ACID
  • RARECHEM AL BO 0076
  • NEOPENTANOIC ACID
  • PIVALIC ACID
  • 2,2,2-Trimethylaceticacid
  • 2,2-dimethyl-propanoicaci
  • 2,2-dimethyl-propionicaci
  • 2,2-Dimethylpropionsαure
  • 2,3-Dimethylpropionsαure
  • Acetic acid, trimethyl-
  • acidepivalique
  • Dimethylpropionic acid
  • Kyselina 2,2-dimethylpropionova
  • Kyselina pivalova
  • kyselina2,2-dimethylpropionova
  • kyselinapivalova
  • Neopentylsαure
  • Pivalinsαure
  • Propanoic acid, 2,2-dimethyl-
  • Propanoicacid,2,2-dimethyl-
  • Propionic acid, 2,2-dimethyl-
  • tert-C4H9COOH
  • tert-Pentanoic Acid
  • tert-pentanoicacid
  • 2,2-Dimethylpropanoic acid;α,α-Dimethylpropionic acid;Trimethylacetic acid
  • TRIMETHYLACETIC ACID
  • CARBOXYLIC ACID C5
  • 2,2-DIMETHYLPROPIONIC ACID
  • 2,2-DIMETHYLPROPANOIC ACID
  • TrimethylaceticAcid,>99%
  • pivalinic acid
  • PivoH
  • Neopentanicacid
  • Pivaloylacid
  • Pivalic acid solution
  • PivalicAcid&gt
  • Pivalic acid, 99%, for synthesis