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Propyl cinnamate

  • Name Propyl cinnamate
  • EINECS231-916-0
  • CAS No. 7778-83-8
  • Density1.037 g/cm3
  • PSA26.30000
  • LogP2.65300
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC12H14O2
  • Boiling Point286.2 °C at 760 mmHg
  • Molecular Weight190.242
  • Flash Point156.1 °C
  • Transport InformationN/A
  • AppearanceColorless,Viscous Liquid,Cold case when curing formed crystals
  • Safety24/25
  • Risk Codes51/53
  • Molecular Structure
    Molecular Structure of 7778-83-8 (Propyl cinnamate)
  • Hazard SymbolsN
  • SynonymsN
  • Article Data20

Propyl cinnamate Consensus Reports

Reported in EPA TSCA Inventory.

Propyl cinnamate Specification

The N-Propyl cinnamate with CAS registry number of 7778-83-8 is also known as 2-Propenoic acid, 3-phenyl-, propyl ester. The systematic name is Propyl 3-phenylprop-2-enoate. It belongs to product categories of Aromatic Cinnamic Acids, Esters and Derivatives; Ester Flavor. Its EINECS registry number is 231-916-0. In addition, the formula is C12H14O2 and the molecular weight is 190.24. This chemical should be stored in sealed containers in cool, dry place away from oxidizing agents. When you are using this chemical, avoid contact with skin and eyes.

Physical properties about N-Propyl cinnamate are: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 3.24; (4)ACD/BCF (pH 5.5): 170.56; (5)ACD/BCF (pH 7.4): 170.56; (6)ACD/KOC (pH 5.5): 1377.79; (7)ACD/KOC (pH 7.4): 1377.79; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 57.81 cm3; (12)Molar Volume: 183.4 cm3; (13)Surface Tension: 37.6 dyne/cm; (14)Density: 1.037 g/cm3; (15)Flash Point: 156.1 °C; (16)Enthalpy of Vaporization: 52.53 kJ/mol; (17)Boiling Point: 286.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00268 mmHg at 25 °C.

Preparation of N-Propyl cinnamate: it is prepared by reaction of 3-phenyl-acrylic acid methyl ester with propan-1-ol. The reaction needs catalyst iodine and other condition of heating for 20 hours. The yield is about 91%.

N-Propyl cinnamate is prepared by reaction of 3-phenyl-acrylic acid methyl ester with propan-1-ol.

Uses of N-Propyl cinnamate: it is used to produce 3-phenyl-acrylic acid methyl ester by reaction with methanol. The reaction occurs with catalyst iodine and other condition of heating for 20 hours. The yield is about 89%.

N-Propyl cinnamate is used to produce 3-phenyl-acrylic acid methyl ester by reaction with methanol.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCC)C=Cc1ccccc1
2. InChI: InChI=1/C12H14O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
3. InChIKey: OLLPXZHNCXACMM-UHFFFAOYAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3mL/kg (3mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 oral 7mL/kg (7mL/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE" Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

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