Product Name

  • Name

    Allyl phenoxyacetate

  • EINECS 231-335-2
  • CAS No. 7493-74-5
  • Article Data3
  • CAS DataBase
  • Density 1.079 g/cm3
  • Solubility practically insoluble in water
  • Melting Point
  • Formula C11H12O3
  • Boiling Point 277.36 °C at 760 mmHg
  • Molecular Weight 192.214
  • Flash Point 111.195 °C
  • Transport Information UN 2810 6.1/PG 3
  • Appearance clear colourless to slightly yellow liquid
  • Safety 36-24/25
  • Risk Codes 20/21/22
  • Molecular Structure Molecular Structure of 7493-74-5 (Allyl phenoxyacetate)
  • Hazard Symbols HarmfulXn
  • Synonyms Aceticacid, phenoxy-, 2-propenyl ester (9CI);Acetic acid, phenoxy-, allyl ester(8CI);NSC 408892;
  • PSA 35.53000
  • LogP 1.79460

Allyl phenoxyacetate Consensus Reports

Reported in EPA TSCA Inventory.

Allyl phenoxyacetate Specification

The Allyl phenoxyacetate, with the CAS registry number 7493-74-5, is also known as 2-Propenylphenoxyacetate. It belongs to the product categories of A-B; Alphabetical Listings; Flavors and Fragrances. Its EINECS registry number is 231-335-2. This chemical's molecular formula is C11H12O3 and molecular weight is 192.21. What's more, its IUPAC name is called Prop-2-enyl 2-phenoxyacetate. It should be stored in a cool, dry and sealed place. This chemical can be used in the recipes of cosmetic fragrance and flavor food.

Physical properties about Allyl phenoxyacetate are: (1)ACD/LogP: 2.607; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.41; (6)ACD/BCF (pH 7.4): 56.41; (7)ACD/KOC (pH 5.5): 624.07; (8)ACD/KOC (pH 7.4): 624.07; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 52.963 cm3; (15)Molar Volume: 178.038 cm3; (16)Polarizability: 20.996×10-24cm3; (17)Surface Tension: 36.24 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 111.195 °C; (20)Enthalpy of Vaporization: 51.592 kJ/mol; (21)Boiling Point: 277.36 °C at 760 mmHg; (22)Vapour Pressure: 0.0050 mmHg at 25 °C.

Preparation of Allyl phenoxyacetate: this chemical can be prepared by 3-iodo-propene with phenoxy-acetic acid; potassium-compound. This reaction needs solvent dimethylformamide at temperature of 147 °C. The yield is 87%.

Allyl phenoxyacetate can be prepared by 3-iodo-propene with phenoxy-acetic acid; potassium-compound.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing and avoid contacting with skin, eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC\C=C)COc1ccccc1
(2) InChI: InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2
(3) InChIKey: VUFZVGQUAVDKMC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 820uL/kg (.82mL/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 703, 1975.
rat LD50 oral 475uL/kg (.475mL/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 703, 1975.

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