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Cas Database

Name	Pivaldehyde	EINECS	211-134-6
CAS No.	630-19-3	Density	0.794 g/cm³
PSA	17.07000	LogP	1.23140
Solubility	Negligible	Melting Point	6 °C(lit.)
Formula	C₅H₁₀O	Boiling Point	77.5 °C at 760 mmHg
Molecular Weight	86.1338	Flash Point	4 °F
Transport Information	UN 1989 3/PG 2	Appearance	clear slightly yellow liquid
Safety	16-23-33-24	Risk Codes	11-37/38-43
Molecular Structure		Hazard Symbols	F,Xi,F+
Synonyms	Pivalaldehyde(7CI,8CI);Pivaldehyde (6CI);2,2-Dimethylpropanal;2,2-Dimethylpropanone;2,2-Dimethylpropionaldehyde;NSC 22043;Neopentaldehyde;Neopentanal;tert-Butylformaldehyde;tert-Pentanal;a,a-Dimethylpropanal;a,a-Dimethylpropionaldehyde;	Article Data	248

Pivaldehyde Synthetic route

: 2,2-dimethyl-1-pyrrol-1-yl-propan-1-ol

A: 109-97-7
pyrrole

B: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With sodium methylate In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; reaction time;	A n/a B 100%

: 2,6-di-tert-butyl-4-phenyl-6H-1,3,5-oxathiazine S-oxide

A: 4115-15-5
3,5-diphenyl-[1,2,4]thiadiazole

B: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
In chloroform-d1 at 25℃; for 800h;	A 100% B 100%

: 3739-96-6
(2,2-Dimethyl-propylidene)-triphenyl-λ5-phosphane

: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With trioxo(N-tert-butylimido)osmium(VIII)	100%

: 75-84-3
2,2-dimethyl-propanol-1

: 728-87-0
4,4'-Dimethoxybenzhydrol

A: 726-18-1
4,4'-dianisylmethane

B: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With o-benzenedisulfonimide at 80℃; for 8h;	A 100% B n/a

: 210693-60-0
[(S)-Tol-BINAP]Pd(o-C6H4CN)(OCH2CMe3)

A: 630-19-3
pivalaldehyde

B: 2-(neopentyloxy)benzonitrile

Conditions

Conditions	Yield
Kinetics; inert atm.; thermal decompn. (62°C);	A <2 B 99%

: 75-98-9
Trimethylacetic acid

: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With thexylchloroborane-Me2SO4 In dichloromethane for 3h; Ambient temperature;	98%
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;	89%
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature;	85%

: 75-84-3
2,2-dimethyl-propanol-1

: 1972-28-7
diethylazodicarboxylate

A: 4114-28-7
diethyl hydrazodicarboxylate

B: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With zinc dibromide In toluene for 2.5h; Reflux;	A n/a B 90%

: 96-17-3, 57456-98-1
2-Methylbutyraldehyde

: 78-79-5
isoprene

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

B: 513-35-9
2-methyl-but-2-ene

C: 563-45-1
3-Methyl-1-butene

D: 630-19-3
pivalaldehyde

E C2-C4 hydrocarbons: C2-C4 hydrocarbons

Conditions

Conditions	Yield
With steam; calcium phosphate catalyst TU 103-134-72 at 380℃; Product distribution; Rate constant; Kinetics; other conditions - var. space velocity of adding reagent, var. dilution with steam, var. temp., var. contact time, other object - activation energy data;;	A 8.2% B n/a C n/a D 0.6% E n/a

...Expand

: 17198-92-4
<(2-methyl-1-propenyl)oxy>tri-n-butylstannane

: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With methyl iodide for 14 h at 90°C;	86%
With CH3I for 14 h at 90°C;	86%

: 3282-30-2
pivaloyl chloride

: 630-19-3
pivalaldehyde

Conditions

Conditions	Yield
With ammonium hydroxide; formic acid In diethyl ether; chloroform for 0.333333h; Ambient temperature;	85%
With 5%-palladium/activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine In acetonitrile at 20 - 60℃; for 1h; Reagent/catalyst; Solvent; Autoclave;	73%
With tri-n-butyl-tin hydride; PdCl(COPh)(PPh3)2 In toluene at 65℃;	65%

Pivaldehyde Chemical Properties

Molecular Structure:

Molecular Formula: C₅H₁₀O
Molecular Weight: 86.1323
IUPAC Name: 2,2-Dimethylpropanal
Synonyms of Propanal, 2,2-dimethyl- (CAS NO.630-19-3): 2,2-Dimethylpropanal ; 2,2-Dimethylpropionaldehyde ; AI3-33229 ; EINECS 211-134-6 ; NSC 22043 ; Neopentanal ; Pivalaldehyde ; Pivalic aldehyde ; Trimethylacetaldehyde ; alpha,alpha-Dimethylpropanal ; alpha,alpha-Dimethylpropionaldehyde
CAS NO: 630-19-3
Classification Code: API intermediates ; Miscellaneous Reagents
Melting point: 6 °C
Index of Refraction: 1.384
Molar Refractivity: 25.36 cm³
Molar Volume: 108.4 cm³
Surface Tension: 22 dyne/cm
Density: 0.794 g/cm³
Flash Point: °C
Enthalpy of Vaporization: 31.85 kJ/mol
Boiling Point: 77.5 °C at 760 mmHg
Vapour Pressure of Propanal, 2,2-dimethyl- (CAS NO.630-19-3): 96.5 mmHg at 25°C

Pivaldehyde Safety Profile

Hazard Codes of Propanal, 2,2-dimethyl- (CAS NO.630-19-3): F, Irritant Xi, Highly F+
Risk Statements: 11-37/38-43
R11: Highly flammable.
R37/38: Irritating to respiratory system and skin.
R43: May cause sensitization by skin contact.
Safety Statements: 16-23-33-24
S16: Keep away from sources of ignition.
S23: Do not breathe vapour.
S33: Take precautionary measures against static discharges.
S24: Avoid contact with skin.
RIDADR: UN 1989 3/PG 2
WGK Germany: 3
F: 8
HazardClass: 3
PackingGroup: III

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