Isobutyric acid supplier

Name
Isobutyric acid
EINECS 201-195-7
CAS No. 79-31-2
Article Data572
CAS DataBase
Density 0.983 g/cm³
Solubility water: 210 g/L (20 °C)
Melting Point -47 °C
Formula C₄H₈O₂
Boiling Point 155.2 °C at 760 mmHg
Molecular Weight 88.1063
Flash Point 58.2 °C
Transport Information UN 2529 3/PG 3
Appearance clear colorless liquid
Safety 23-36/37/39
Risk Codes 21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Isobutyricacid (8CI);2-Methylpropanoic acid;2-Methylpropionic acid;2-Propanecarboxylicacid;Dimethylacetic acid;Isobutanoic acid;Isopropylformic acid;NSC 62780;i-Butyric acid;iso-Butyric acid;a-Methylpropanoic acid;a-Methylpropionic acid;
PSA 37.30000
LogP 0.72700

Synthetic route

: 78-83-1
2-methyl-propan-1-ol

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; trichloroisocyanuric acid; sodium hydrogencarbonate; sodium bromide In water; acetone at 20℃; for 3h;	100%
With tert.-butylhydroperoxide; copper(ll) bromide In water; dimethyl sulfoxide at 20℃; for 1.2h; Inert atmosphere;	88%
With aluminium trichloride; silver bromate In acetonitrile for 0.65h; Heating;	83%

: 869563-40-6
(4S)-4-benzyl-3-(2-methylpropionyl)-2-oxazolidinone

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With lithium hydroxide; dihydrogen peroxide; sodium sulfite In tetrahydrofuran; water at 0℃; for 2h;	100%

: 78-84-2
isobutyraldehyde

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With N-hydroxyphthalimide; oxygen In acetonitrile at 30℃; for 3h; Schlenk technique;	99%
With dihydrogen peroxide In water; acetonitrile at 45℃; for 1h; chemoselective reaction;	98%
With oxygen In n-heptane at 20℃; under 750.06 Torr; Rate constant; Mechanism; Kinetics; effect of various solvents, further pressure and temperature;	96.2%

: 54526-87-3
methyl-d3 2-methylpropanoate

A: 1849-29-2
1,1,1-trideuteromethanol

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With water; ion exchange resin Product distribution / selectivity;	A 99% B n/a

: 30984-28-2
1,1,1-trifluoro-5-methyl-2,4-hexanedione

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With oxygen; sodium hydrogencarbonate In acetonitrile for 4h; Molecular sieve; Irradiation;	99%

: 23832-41-9
N,N'-diisobutyryltetrahydropyrazole

A: pyrazolidine dihydrogen chloride

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With hydrogenchloride for 8h; Heating;	A 98.8% B n/a

: 79-41-4
poly(methacrylic acid)

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With phenylsilane; C12H23N2O2P In tetrahydrofuran at 23℃; for 2h;	98%
With sodium tetrahydroborate; sodium hydroxide In water at 20 - 60℃;	90%
With potassium hydroxide; hydrogen; K3HCo(CN)5; β‐cyclodextrin for 24h; Ambient temperature;	89%

: 865-58-7
3-bromo-3-methyl-but-1-ene

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
Stage #1: 3-bromo-3-methyl-but-1-ene With triacetylglycerol for 0.833333h; Stage #2: With vanadium dioxide at 10℃; for 1.33333h; Temperature;	96%

: 595-46-0
2,2-dimethylmalonic acid

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With poly-4-vinylpyridine In N,N-dimethyl-formamide for 0.05h; microwave irradiation;	91%
In water for 0.25h; Decarboxylation; microwave irradiation;	83%
at 190℃;
In neat (no solvent) at 192℃; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔF(excit.);

: 78-82-0
Isobutyronitrile

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With benzene-1,2-dicarboxylic acid for 0.666667h; microwave irradiation;	90%
With potassium phosphate buffer; nitrilase from Alcaligenes faecalis ATCC8750 at 30℃; for 58h; pH=7.3;	71%
With hydrogenchloride; water at 170℃; Kinetics; Thermodynamic data; Further Variations:; Temperatures; hydrothermolysis;

: 78-84-2
isobutyraldehyde

A: 79-31-2
isobutyric Acid

B peroxides: peroxides

Conditions

Conditions	Yield
With oxygen; cobalt naphthenate00 at 50 - 55℃; for 2h; Product distribution; other time, temperature and catalyst;;	A 90% B n/a

: 80-62-6
methacrylic acid methyl ester

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrogen; K3HCo(CN)5; β‐cyclodextrin for 24h; Ambient temperature;	87%

: 97-85-8
isobutyl isobutanoate

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With hydrogenchloride In acetone for 4h; Reagent/catalyst; Solvent; Reflux;	87%

: 68387-96-2
N,N'-diisobutyrylhexahydropyridazine

A: 89990-53-4
1,2,3,4,5,6-hexahydropyridazine hydrochloride

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With hydrogenchloride for 8h; Heating;	A 86.3% B n/a

: 4-bromo-2-methyl-octene-3

A: 79-31-2
isobutyric Acid

B: 109-52-4
valeric acid

Conditions

Conditions	Yield
With ruthenium(IV) oxide; sodium periodate In dichloromethane; water; acetonitrile for 6h; Ambient temperature;	A n/a B 85%
With ruthenium(IV) oxide; sodium periodate In dichloromethane; water; acetonitrile for 6h; Ambient temperature;

: 563-80-4
3-methyl-butan-2-one

A: 64-18-6
formic acid

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With perchloric acid; bromamine T In water at 35 - 40℃; Kinetics; Mechanism; Thermodynamic data; ΔH and ΔS; var. solv.: D2O;	A 82% B 82%
With perchloric acid; mercury(II) diacetate; N-bromoacetamide In water at 30℃; Kinetics; Mechanism; effect of the concentrations of NBA, MIK, acid and Hg(OAc)2; effect of the ionic strength; D2O isotopic effect; further temperatures;

: 120-72-9
indole

: 97-72-3
2-Methylpropionic anhydride

A: 57642-07-6
1-(1H-indol-3-yl)-2-methylpropan-1-one

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With Cl(1-)C5H14NO(1+)3ZnCl2 at 120℃; for 0.166667h; Friedel-Crafts Acylation; Microwave irradiation; Green chemistry; regioselective reaction;	A 81% B n/a

...Expand

: 67-56-1
methanol

: 72524-21-1
1-naphthylmethyl 2-methylpropanoate

A: 16727-91-6
monoisopropylmethylnaphthalene

B: 5903-23-1
1-(methoxymethyl)naphthalene

C: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
at 20℃; Rate constant; Quantum yield; Irradiation;	A 6% B 80% C n/a

...Expand

: 126-98-7
methacrylonitrile

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrogen; K3HCo(CN)5; β‐cyclodextrin at 70℃; for 24h;	80%

: 79-39-0
Methacrylamide

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrogen; K3HCo(CN)5; β‐cyclodextrin at 70℃; for 24h;	77%

: 151-00-8
isobutyraldehyde oxime

A: 78-84-2
isobutyraldehyde

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium chlorite; water at 20℃; for 0.0833333h;	A 76% B 8%

: 20266-12-0
1-butoxy-1-isobutoxy butane

A: 78-83-1
2-methyl-propan-1-ol

B: 109-21-7
butyl butyrate

C: 539-90-2
isobutyl n-butyrate

D: 79-31-2
isobutyric Acid

E: 107-92-6
butyric acid

F: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With oxygen; cobalt(II) acetate at 90℃; under 750.06 Torr; Mechanism; Rate constant; other oxygen pressure;	A 5.5% B 3% C 3.5% D 5% E 73.5% F 7%

...Expand

: 547-63-7
Methyl isobutyrate

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In water; acetone at 100℃; under 11103.3 Torr; for 4h;	72%
With Methyltrichlorosilane; sodium iodide In acetonitrile for 12h; Product distribution; Heating; var. carboxylic acid alkyl esters; var. times; other temp.: room tem temp.;	70%
In sodium hydroxide at 25℃; Thermodynamic data;

: 97-72-3
2-Methylpropionic anhydride

: 536-74-3
phenylacetylene

: 103-80-0
phenylacetyl chloride

A: 30069-65-9
3-phenylnaphthalen-1-ol

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
Stage #1: 2-Methylpropionic anhydride; phenylacetylene; phenylacetyl chloride at 190℃; for 48h; Inert atmosphere; Stage #2: With potassium hydroxide In water at 100℃; for 13 - 15h;	A 70% B n/a

...Expand

: 72-18-4
L-valine

: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With ruthenium trichloride; sodium periodate In tetrachloromethane; water; acetonitrile for 60h;	66%

: 78-83-1
2-methyl-propan-1-ol

A: 97-85-8
isobutyl isobutanoate

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With sodium bromate; sodium hydrogensulfite for 2h; Ambient temperature;	A 65% B 7%

: 513-42-8
3-hydroxy-2-methyl-1-propene

A: 19265-05-5
1,1,3-trimethyl glutaric acid

B: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With potassium hydroxide In cyclohexene at 300℃; for 20h;	A 16.6% B 58.5%
With potassium hydroxide at 300℃;

: 129613-02-1
3,3-dimethyl-2-phenylsulphonyl-2-trimethylsilyloxirane

A: 139117-09-2
2-methyl-2-(trimethylsilyl)propanoic acid

B: 128588-99-8
2-bromo-2-methylpropanoyltrimethylsilane

C: 79-31-2
isobutyric Acid

Conditions

Conditions	Yield
With magnesium bromide ethyl etherate In diethyl ether at 0℃; for 2.33333h;	A 24% B 57% C 9%

...Expand

: 474094-06-9
ethyl 2-methyl-2-methyl tellurium propionate

A: 20334-43-4
dimethyl ditelluride

B: 79-31-2
isobutyric Acid

C: 97-62-1
Ethyl isobutyrate

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran; water at 70℃; for 3h; Inert atmosphere;	A 52% B 14% C 22%

...Expand

: 79-31-2
isobutyric Acid

: 108-46-3
recorcinol

: 29048-54-2
1-(2,4-dihydroxyphenyl)-2-methyl-1-propanone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate at 90℃; for 1.5h; Inert atmosphere;	100%
With zinc(II) chloride at 125 - 140℃;
With boron trifluoride

: 54107-24-3
3-(2-vinyloxyethoxy)-1,2-propylene carbonate

: 79-31-2
isobutyric Acid

: 127827-85-4
Isobutyric acid 1-[2-(2-oxo-[1,3]dioxolan-4-ylmethoxy)-ethoxy]-ethyl ester

Conditions

Conditions	Yield
With heptafluorobutyric Acid at 75℃; for 3h;	100%

: 79-31-2
isobutyric Acid

: 530-62-1
1,1'-carbonyldiimidazole

: 4122-53-6
1-(1H-imidazol-1-yl)-2-methylpropan-1-one

Conditions

Conditions	Yield
In tetrahydrofuran	100%
In tetrahydrofuran Heating;
In N,N-dimethyl-formamide for 3h; Ambient temperature;

: 64-04-0
phenethylamine

: 79-31-2
isobutyric Acid

: 71022-62-3
2-methyl-N-(2′-phenethyl)-propionamide

Conditions

Conditions	Yield
With dmap In chloroform at 25℃; for 1h;	100%
With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; (EtO)2PO-N(Ph)-SO2CF3 In dichloromethane for 0.5h; Acylation;	97%
With thio-xanthene-9-one; 2-(diisopropylamino)-3-(2-methylbenzo[b]thiophen-3-yl)cycloprop-2-en-1-one In dichloromethane at 20℃; for 9h; Inert atmosphere; Irradiation;	84%

: 79-31-2
isobutyric Acid

: 3694-52-8
2,3-diamino-nitrobenzene

: 208773-27-7
2-Isopropyl-4-nitro-1H-benzimidazole

Conditions

Conditions	Yield
With hydrogenchloride Heating;	100%

: 649748-00-5
allyl 1-{[(α-chloroethoxy)carbonyl]aminomethyl}-1-cyclohexane acetate

: 79-31-2
isobutyric Acid

: 1-{[(α-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid allyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine at 0 - 20℃; for 16.5h;	100%
With 4-methyl-morpholine at 0 - 20℃; for 16.5h;	100%
With 4-methyl-morpholine at 0 - 20℃; for 16.5h;	100%
With 4-methyl-morpholine at 0 - 20℃; for 16.5h;	100%
With tributyl-amine In toluene at 20℃; Product distribution / selectivity;

: (SbCl3O)2H(O2CCF3)

: 79-31-2
isobutyric Acid

: (SbCl3O)2H(O2CCH(CH3)2)

Conditions

Conditions	Yield
In dichloromethane reflux for 24 h; filtered, washed with CH2Cl2, dried in vac.; elem. anal.;	100%

: 79-31-2
isobutyric Acid

: 622-79-7
benzyl azide

: 4774-58-7
N-benzylisobutyramide

Conditions

Conditions	Yield
With 2,2'-dipyridyldiselenide; trimethylphosphane In toluene at 0 - 20℃; Staudinger-Vilarrasa reaction; Inert atmosphere;	100%

: 101506-43-8
O-(1-chloroethyl) S-ethyl carbonothioate

: 79-31-2
isobutyric Acid

: 1-{[(ethylthio)carbonyl]oxy}ethyl 2-methylpropionate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine at 55℃; for 48h;	100%

: 1332076-30-8
(2-chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methanamine

: 79-31-2
isobutyric Acid

: 1332076-36-4
N-((2-chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)isobutyramide

Conditions

Conditions	Yield
Stage #1: isobutyric Acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide for 0.25h; Inert atmosphere; Stage #2: (2-chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methanamine In N,N-dimethyl-formamide Inert atmosphere;	100%

: 1332076-38-6
4-(2-chloro-6-(piperidin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl)morpholine

: 79-31-2
isobutyric Acid

: 1332076-41-1
1-(4-((2-chloro-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)piperidin-1-yl)-2-methylpropan-1-one

Conditions

Conditions	Yield
Stage #1: isobutyric Acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 0.25h; Inert atmosphere; Stage #2: 4-(2-chloro-6-(piperidin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl)morpholine In N,N-dimethyl-formamide Inert atmosphere;	100%

: 1-Boc-2-benzylpiperazine

: 79-31-2
isobutyric Acid

: C20H30N2O3

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 2h;	100%

: (-)-methyl 6-((benzyloxy)methyl)-2-azabicyclo[2.1.1]hexane-5-carboxylate trifluoroacetate

: 79-31-2
isobutyric Acid

: (1R,4S,5S,6R)-methyl 6-((benzyloxy)methyl)-2-iso-butyryl-2-azabicyclo[2.1.1]hexane-5-carboxylate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere; Sealed tube;	100%

: 78-83-1
2-methyl-propan-1-ol

: 79-31-2
isobutyric Acid

: 97-85-8
isobutyl isobutanoate

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium hydrogen sulfate at 80℃; under 760.051 Torr; for 3h; Reagent/catalyst; Temperature;	99.8%
With sulfuric acid
With titanium(IV) oxide at 235℃;

: 79-31-2
isobutyric Acid

: 79-30-1
isobutyryl chloride

Conditions

Conditions	Yield
With phosphorus trichloride at 45 - 55℃; for 6h;	99.6%
With trichloroacetonitrile; triphenylphosphine In dichloromethane at 30℃; Temperature; Inert atmosphere;	99.76%
Stage #1: isobutyric Acid With phosphorus trichloride at 60℃; for 2h; Stage #2: With hydrogenchloride for 0.3h; Temperature;	97.5%

: 79-31-2
isobutyric Acid

: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;	99%
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature;	94%
With iron(II) oxide at 430 - 490℃;

: 79-31-2
isobutyric Acid

: 565-80-0
2,4-dimethylpentan-3-one

Conditions

Conditions	Yield
manganese(II)carbonate In MARLOTHERM S (dibenzyltoluene) at 360 - 380℃; Product distribution / selectivity;	99%
With thorium dioxide at 490℃;
With calcium chloride at 580 - 600℃;

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: 79-31-2
isobutyric Acid

: 60154-69-0
tetrabutylammonium 2-methylpropionate

Conditions

Conditions	Yield
In methanol at 20℃; for 6h;	99%
In water at 60℃; for 2h;	98%
In water at 20℃; for 0.5h; Product distribution / selectivity;
In methanol at 20℃; for 0.5h; Product distribution / selectivity;

: 498-66-8
norbornene

: 79-31-2
isobutyric Acid

: exo-isobutyric acid bicyclo[2.2.1]hept-2-yl ester

Conditions

Conditions	Yield
iron(III) trifluoromethanesulfonate In dibutyl ether at 80℃; for 18h;	99%

: 19620-34-9
2-(4,4-ethylenedioxycyclohex-1-ylidene)propanol

: 79-31-2
isobutyric Acid

: 1085762-37-3
2-(4,4-ethylenedioxycyclohexylidene)propyl 2-methylpropanoate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 5h;	99%

: 498-66-8
norborn-2-ene

: 79-31-2
isobutyric Acid

: norbornenyl-2-methyl propionate

Conditions

Conditions	Yield
iron(III) trifluoromethanesulfonate In dibutyl ether at 80℃; for 18h;	99%

: 79-31-2
isobutyric Acid

: 104-46-1
anethole

: isobutyric acid 2-(4-methoxyphenyl)-1-methylethyl ester

Conditions

Conditions	Yield
Stage #1: isobutyric Acid With 2,6-dimethylpyridine; 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate; thiophenol In 1,2-dichloro-ethane at 0 - 23℃; for 0.25h; Inert atmosphere; Stage #2: anethole In 1,2-dichloro-ethane for 62h; Inert atmosphere; Irradiation; regioselective reaction;	99%

: 1365037-86-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide

: 79-31-2
isobutyric Acid

: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In tetrahydrofuran for 16h;	99%

: 79-31-2
isobutyric Acid

: 163765-44-4
(R)-tert-butyl 3-methylpiperazine-1-carboxylate

: (R)-3-methyl-4-(isobutyryl)piperazine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 10h; Inert atmosphere;	99%
With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 10h;	99%

: 82400-03-1
phorbol-20-trityl ether

: 79-31-2
isobutyric Acid

: phorbol 12,13-diisobutyrate-20-trityl

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 18h;	99%

Isobutyric acid Consensus Reports

Reported in EPA TSCA Inventory.

Isobutyric acid Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Isobutyric acid Specification

The Isobutyric acid is an organic compound with the formula C₄H₈O₂. The IUPAC name of this chemical is 2-methylpropanoic acid. With the CAS registry number 79-31-2, it is also named as a-Methylpropionic acid. The product's classification codes are Fungicide; Skin / Eye Irritant; TSCA Flag T [Subject to the Section 4 test rule under TSCA]. Besides, it is a clear colorless liquid, which should be stored in a closed cool and dark place. It is an intermediate for the production of isobutyronitrile in the industry, it is the raw material for pesticide diazinon.

Physical properties about Isobutyric acid are: (1)ACD/LogP: 0.59; (2)ACD/LogD (pH 5.5): -0.15; (3)ACD/LogD (pH 7.4): -1.93; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.12; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.408; (13)Molar Refractivity: 22.1 cm³; (14)Molar Volume: 89.5 cm³; (15)Polarizability: 8.76×10^-24cm³; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.983 g/cm³; (18)Flash Point: 58.2 °C; (19)Enthalpy of Vaporization: 43.23 kJ/mol; (20)Boiling Point: 155.2 °C at 760 mmHg; (21)Vapour Pressure: 1.63 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-acrylic acid. This reaction will need reagent sodium amalgam.

Uses of Isobutyric acid: it can be used to produce tetramethylsuccinic acid at temperature of 85 - 95 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection and do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(C)C
(2)InChI: InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
(3)InChIKey: KQNPFQTWMSNSAP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
(5)Std. InChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	500uL/kg (0.5mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	280uL/kg (0.28mL/kg)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Product Name

Isobutyric acid

Synthetic route

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