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4-Isopropylbenzaldehyde
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Name

4-Isopropylbenzaldehyde

 EINECS 204-516-9
CAS No. 122-03-2 Density 0.98 g/cm3
PSA 17.07000 LogP 2.62250
Solubility insoluble in water Melting Point 235-236oC(lit.)
Formula C10H12O Boiling Point 236.1 °C at 760 mmHg
Molecular Weight 148.205 Flash Point 93.3 °C
Transport Information N/A Appearance clear colorless to yellow liquid
Safety 26-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 122-03-2 (4-Isopropylbenzaldehyde) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

4-(1-Methylethyl)-Benzaldehyd;4-(1-Methylethyl)Benzaldehyde;4-(1-Methylethyl)-Benzaldehyde;4-(2-Propyl)Benzaldehyde;4-Ipr-Benzaldehyde;Benzaldehyde, P-Isopropyl-;Cumal;Cumic Aldehyde;Cumaldehyde;

Article Data 233

4-Isopropylbenzaldehyde Synthetic route

536-60-7

cuminol

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In dichloromethane; water under 760.051 Torr; for 2h; Green chemistry;100%
With dmap; C25H30F17N5O4S(1-)*K(1+); oxygen; copper(II) sulfate In water at 25℃; for 2h; chemoselective reaction;99%
With titanium(IV) oxide; oxygen at 29.84℃; under 760.051 Torr; for 6h; Sealed tube; Irradiation;99%
1888-75-1

isopropyllithium

1122-91-4

4-bromo-benzaldehyde

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
Stage #1: 4-bromo-benzaldehyde With bis(tri-tert-butylphosphine)palladium(0); sodium chloride In water at 20℃; for 0.166667h; Negishi Coupling; Schlenk technique;
Stage #2: isopropyllithium With zinc(II) chloride In 2-methyltetrahydrofuran; water at 10℃; for 0.00555556h; Schlenk technique; chemoselective reaction;		98%
3717-17-7, 3717-18-8, 13372-80-0

4-isopropylbenzaldehyde oxime

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With iron(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water; toluene at 60℃; under 760.051 Torr; for 4h;95%
With tungsten(VI) chloride; zinc In acetonitrile at 20℃; for 0.333333h;92%

2-(4-isopropylphenyl)-1,3-dithiane

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide In dichloromethane at 20℃; for 1h;94%
23229-31-4

2-(4-isopropylphenyl)-1,3-dithiolane

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide In dichloromethane at 20℃; for 2.45h;93%
With Oxone; potassium bromide In water; acetonitrile at 20℃; for 0.333333h;92%
With iodosylbenzene In dichloromethane at 20℃; for 0.25h;91%
2055-40-5

4-isopropylstyrene

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With dihydrogen peroxide In acetonitrile at 65℃; for 6h;93%
With sodium periodate In water; ethyl acetate; acetonitrile at 0℃; for 3.5h;63%
Stage #1: 4-isopropylstyrene With BO40W12(5-)*2C12H12N6*Co(2+)*3H(1+)*10H2O In acetonitrile for 0.0833333h;
Stage #2: With dihydrogen peroxide In acetonitrile at 70℃; for 7h;
2051-18-5

4-isopropylbenzyl chloride

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With potassium hydroxide; cetyltrimethylammonim bromide; potassium nitrate In water for 4h; pH=10 - 11; Reflux;92%
With 4Na(1+)*6H(1+)*NiMo6O24(10-)=Na4H6NiMo6O24; oxygen In water; acetonitrile at 20℃; under 760.051 Torr; for 12h; Irradiation;92%
With potassium nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; potassium bromide In water for 5h; Reflux;89%
73789-86-3

4-i-propylbenzyl bromide

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With potassium nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen In water for 4h; Reflux;92%
Multi-step reaction with 2 steps
1: eosin y; oxygen / dimethyl sulfoxide / 12 h / 25 °C / Irradiation
2: eosin y / dimethyl sulfoxide / 24 h / 80 °C / Irradiation
View Scheme
1122-91-4

4-bromo-benzaldehyde

77047-87-1

isopropyl zinc bromide

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
Stage #1: 4-bromo-benzaldehyde With C40H55Cl5N3Pd In toluene at 0℃; for 0.0833333h; Negishi Coupling; Inert atmosphere; Cooling with ice;
Stage #2: isopropyl zinc bromide In tetrahydrofuran; toluene at 23℃; for 0.5h; Inert atmosphere;		92%
With dichloro(1,3-bis(2,6-bis(3-pentyl)phenyl)imidazolin-2-ylidene)(3-chloropyridyl)palladium(II) In tetrahydrofuran; toluene at 0 - 20℃; for 3h; Negishi coupling reaction; Inert atmosphere;78%

tert-butyl-(4-isopropyl-benzyloxy)-dimethyl-silane

122-03-2

(4-isopropylbenzaldehyde)

Conditions
ConditionsYield
With N-hydroxyphthalimide; oxygen; cobalt(II) benzoate In acetonitrile at 20℃; for 0.666667h;90%

4-Isopropylbenzaldehyde Chemical Properties

Chemistry informtion about Cumaldehyde (CAS NO.122-03-2) is:
IUPAC Name: 4-Propan-2-Ylbenzaldehyde
Synonyms: 4-(1-Methylethyl)-Benzaldehyd ; 4-(1-Methylethyl)Benzaldehyde ; 4-(1-Methylethyl)-Benzaldehyde ; 4-(2-Propyl)Benzaldehyde ; 4-Ipr-Benzaldehyde ; Benzaldehyde, P-Isopropyl- ; Cumal ; Cumic Aldehyde
Product Categories: Benzene derivatives ; Aromatic Aldehydes & Derivatives (substituted) 
Molecular Formula: C10H12O
Molecular Weight: 148.2
EINECS: 204-516-9 
Density: 0.98 g/cm3
Flash Point: 93.3 °C 
Boiling Point: 236.1 °C at 760 mmHg
Vapour Pressure: 0.0482 mmHg at 25°C 
Enthalpy of Vaporization: 47.29 kJ/mol
Refractive Index:  n20/D 1.529(lit.)
FEMA: 2341
Water Solubility: insoluble
Sensitive: Air Sensitive
Merck: 14,2621
BRN: 636547
Following is the molecular structure of  Cumaldehyde (CAS NO.122-03-2) is:

4-Isopropylbenzaldehyde Uses

 Cumaldehyde (CAS NO.122-03-2) is used in as an aroma for perfumes.Cuminaldehyde is a constituent of the essential oils of eucalyptus, myrrh, cassia, cumin and others.

4-Isopropylbenzaldehyde Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2400mg/kg (2400mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
rabbit LD50 skin 2800mg/kg (2800mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 395, 1974.
rat LD50 oral 1390mg/kg (1390mg/kg) behavioral: somnolence (general depressed activity) gastrointestinal: ulceration or bleeding from stomach liver: other changes Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

4-Isopropylbenzaldehyde Consensus Reports

Reported in EPA TSCA Inventory.

4-Isopropylbenzaldehyde Safety Profile

Moderately toxic by ingestion and skin contact. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES. 
Hazard Codes:
HarmfulXn
Risk Statements:
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: CU7000000
HS Code: 29122900

4-Isopropylbenzaldehyde Specification

 Cumaldehyde (CAS NO.122-03-2) is a natural organic compound with clear colorless to yellow liquid.

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