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4395-92-0

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Basic Information
CAS No.: 4395-92-0
Name: 4-isopropylphenylacetaldehyde
Article Data: 7
Molecular Structure:
Molecular Structure of 4395-92-0 (4-isopropylphenylacetaldehyde)
Formula: C11H14O
Molecular Weight: 162.232
Synonyms: 4-isopropyl-1-benzeneacetaldehyde;p-isopropyl phenylacetaldehyde;Benzeneacetaldehyde,4-(1-methylethyl);Cumyl acetaldehyde;2-[4-(1-methylethyl)phenyl]-ethanal;4-Isopropyl phenylacetaldehyde;para-isopropyl phenylacetaldehyde;P-Cymene-7-carboxaldehyde;Cortexal;Isopropylphenylacetaldehyde,p;(4-Isopropyl-phenyl)-acetaldehyd;(4-isopropyl-phenyl)-ethanal;Cuminic acetaldehyde;FEMA No. 2954;
Density: 0.956g/cm3
Boiling Point: 246.9°C at 760 mmHg
Flash Point: 112.3°C
Safety: Mildly toxic by ingestion. A severe skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES.
PSA: 17.07000
LogP: 2.55140
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Chemistry

Molecule structure of 4-Isopropyl phenylacetaldehyde (CAS NO.4395-92-0) :

IUPAC Name: 2-(4-propan-2-ylphenyl)acetaldehyde 
Molecular Weight: 162.22826 g/mol
Molecular Formula: C11H14O
Density: 0.956 g/cm3
Boiling Point: 246.9 °C at 760 mmHg
Flash Point: 112.3 °C  
Molar Volume: 169.6 cm3
Polarizability: 19.89*10-24 cm3
Surface Tension: 33.3 dyne/cm 
Enthalpy of Vaporization: 48.4 kJ/mol
Vapour Pressure: 0.0265 mmHg at 25 °C 
XLogP3-AA: 2.4
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 162.104465
MonoIsotopic Mass: 162.104465
Topological Polar Surface Area: 17.1
Heavy Atom Count: 12
Complexity: 132
Canonical SMILES: CC(C)C1=CC=C(C=C1)CC=O
InChI: InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3
InChIKey: FSKGFRBHGXIDSA-UHFFFAOYSA-N
EINECS: 224-522-5
Product Categories: Isopropyl; Aromatic Aldehydes & Derivatives (substituted)

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H SEV

     FCTXAV    Food and Cosmetics Toxicology. 17 (1979),509.
2.    

orl-rat LD50:4100 mg/kg

     FCTXAV    Food and Cosmetics Toxicology. 17 (1979),509.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. A severe skin irritant. When heated to decomposition it emits acrid smoke and fumes. See also ALDEHYDES.

Specification

 4-Isopropyl phenylacetaldehyde (CAS NO.4395-92-0) is also called Benzeneacetaldehyde, 4-(1-methylethyl)- (9CI) ; Benzeneacetaldehyde, 4-(1-methylethyl)- ; Para-isopropylphenylacetaldehyde ; Isopropylphenylacetaldehyde ; Cuminicacetaldehyde ; 4-Isopropylphenylacetaldehyd ; Cortexal .