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Isobutyl cinnamate

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Name

Isobutyl cinnamate

EINECS 204-564-0
CAS No. 122-67-8 Density 1.003 g/cm3
PSA 26.30000 LogP 2.89900
Solubility N/A Melting Point N/A
Formula C13H16O2 Boiling Point 296.7 °C at 760 mmHg
Molecular Weight 204.269 Flash Point 157.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 122-67-8 (Isobutyl cinnamate) Hazard Symbols N/A
Synonyms

Cinnamicacid, isobutyl ester (6CI,7CI,8CI);Labdanol;NSC 404181;

Article Data 5

Isobutyl cinnamate Chemical Properties

IUPAC Name: 2-Methylpropyl(E)-3-phenylprop-2-enoate
CAS: 122-67-8
EINECS: 204-564-0
Product Categories: Alicyclic/Etch-Resistant MonomersPolymer Science ; Lithography Monomers ; Monomers ; Self Assembly&Contact Printing ; Vinyl Halides, Amines, Amides, and Other Vinyl Monomers .
Following is the Molecular Structure of  Isobutyl cinnamate (122-67-8):

SMILES: CC(C)COC(=O)C=Cc1ccccc1
InChI: InChI=1/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-
InChIKey: IQZUZPKOFSOVET-HJWRWDBZBY
Std.InChI: InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8-
Std.InChIKey: IQZUZPKOFSOVET-HJWRWDBZSA-N
Molecular Formula: C13H16O2
Molecular Weight: 204.26
Boiling Point: 296.7℃ at 760mmHg
Flash Point: 157.2℃
Molar Volume: 200.2cm3
Density: 1.019g/cm3
Molar Refractivity:  62.4cm3
Surface Tension: 36.2dyne/cm
Polarizability: 24.74 10-24cm3
Enthalpy of Vaporization: 53.65kJ/mol
Vapour Pressure: 0.00141mmHg at 25℃
Index of Refraction: 1.535
Refractive Index: n20/D 1.54(lit.)

Isobutyl cinnamate Consensus Reports

Reported in EPA TSCA Inventory.

Isobutyl cinnamate Safety Profile

WGK Germany: 2
RTECS: GD9550000
A skin irritant. Combustible liquid.

Isobutyl cinnamate Specification

 Isobutyl cinnamate (122-67-8),which also can be called for FEMA 2193 ; Isobutyl cinnamate ; 2-Methylpropyl 3-phenylpropenoate ; 2-Methylpropyl beta-phenylacrylate ; 2-Methylpropyl3-phenyl-2-propenoate ; 2-Propenoicacid,3-phenyl-,2-methylpropylester ; 3-Phenyl-2-propenoicaci2-methylpropylester ; Cinnamic acid,isobutyl ester . Isobutyl cinnamate (122-67-8) is a colourless oily liquids and it's insoluble in water.It's soluble in Ethanol , Ethyl ether , Chloroform ,and most of the volatile oil,slightly soluble in Propylene glycol .When heated to decomposition it emits acrid smoke and fumes.

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