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| CAS No.: | 122-03-2 |
|---|---|
| Name: | 4-Isopropylbenzaldehyde |
| Article Data: | 233 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H12O |
| Molecular Weight: | 148.205 |
| 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; |
| EINECS: | 204-516-9 |
| Density: | 0.98 g/cm3 |
| Melting Point: | 235-236oC(lit.) |
| Boiling Point: | 236.1 °C at 760 mmHg |
| Flash Point: | 93.3 °C |
| Solubility: | insoluble in water |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 17.07000 |
| LogP: | 2.62250 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
- 122-03-2
(4-isopropylbenzaldehyde)
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 |
| Conditions | Yield |
|---|---|
| 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% |
- 122-03-2
(4-isopropylbenzaldehyde)
| Conditions | Yield |
|---|---|
| With N-hydroxyphthalimide; oxygen; cobalt(II) benzoate In acetonitrile at 20℃; for 0.666667h; | 90% |
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Chemistry
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:
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.
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
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:
Xn
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
Specification
Cumaldehyde (CAS NO.122-03-2) is a natural organic compound with clear colorless to yellow liquid.