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Basic Information
CAS No.: 5497-67-6
Name: 2,2-Dimethyl-4-pentenal
Article Data: 53
Molecular Structure:
Molecular Structure of 5497-67-6 (2,2-Dimethyl-4-pentenal)
Formula: C7H12 O
Molecular Weight: 112.172
Synonyms: 2,2-Dimethyl-4-penten-1-al;2,2-Dimethyl-4-pentenal; NSC 14676
EINECS: 226-834-7
Density: 0.825
Melting Point: -53.35°C (estimate)
Boiling Point: 124-125 °C(lit.)
Flash Point: 18 ºC
Appearance: clear colorless to light yellow liquid
Hazard Symbols:
Risk Codes: R11;R36/37/38   
Safety: 16-26-33-36
Transport Information: UN 1989
PSA: 17.07000
LogP: 1.78760
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Chemistry

Empirical Formula: C7H12O
Molecular Weight: 112.1696g/mol
EINECS: 226-834-7 
Structure of 4-Pentenal,2,2-dimethyl- (CAS NO.5497-67-6):

Index of Refraction: 1.417
Molar Refractivity: 34.35 cm3
Molar Volume: 136.5 cm3
Polarizability: 13.62×10-24cm3
Surface Tension: 24.4 dyne/cm
Density: 0.821 g/cm3
Flash Point: 18.3 °C
Enthalpy of Vaporization: 37.17 kJ/mol
Boiling Point: 134.2 °C at 760 mmHg
Vapour Pressure: 8.18 mmHg at 25°C 
Product Categories: Aldehydes;C7;Carbonyl Compounds 
Systematic Name: 2,2-dimethylpent-4-enal
SMILES: O=CC(C)(C)C\C=C
InChI: InChI=1/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3
InChIKey: DXSDIWHOOOBQTJ-UHFFFAOYAM

Safety Profile

Hazard Codes: FlammableF,IrritantXi
Risk Statements: 11-36/37/38
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-33-36
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S33:Take precautionary measures against static discharges. 
S36:Wear suitable protective clothing.
RIDADR: UN 1989 3/PG 3
HazardClass: 3.1
PackingGroup: II

Specification

  4-Pentenal,2,2-dimethyl- , its cas register number is 5497-67-6. It also can be called 2,2-Dimethylpent-4-enal ; 2,2-Dimethyl-4-pentenal . 4-Pentenal,2,2-dimethyl- (CAS NO.5497-67-6) is a clear colorless to light yellow liquid.