Reported in EPA TSCA Inventory.

The Allylacetic acid, with the CAS registry number 591-80-0, is also known as Pent-4-enoic acid. It belongs to the product categories of Pharmaceutical Intermediates; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; omega-Unsaturated Carboxylic Acids. Its EINECS number is 228-028-0. This chemical's molecular formula is C₅H₈O₂ and molecular weight is 100.12. What's more, its systematic name is 4-Pentenoic acid. This chemical should be sealed and stored at the temperature of 2 - 8 °C. It is an inhibitor of fatty acid oxidation. It can be used in the manufacturing of flavor concentrates of all types, and it is also used in organic synthesis.

Physical properties of Allylacetic acid are: (1)ACD/LogP: 0.984; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): -1.76; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 9.28; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 26.503 cm³; (15)Molar Volume: 100.789 cm³; (16)Polarizability: 10.507×10^-24cm³; (17)Surface Tension: 33.17 dyne/cm; (18)Density: 0.993 g/cm³; (19)Flash Point: 78.683 °C; (20)Enthalpy of Vaporization: 46.82 kJ/mol; (21)Boiling Point: 188.499 °C at 760 mmHg; (22)Vapour Pressure: 0.27 mmHg at 25°C.

Preparation: this chemical can be prepared by pent-4-enoic acid ethyl ester at the temperature of 90 °C. This reaction will need reagent (Bu₃Sn)₂O and solvent toluene with the reaction time of 48 hours. The yield is about 42%.

Uses of Allylacetic acid: it can be used to produce pent-4-enoic acid ethyl ester by heating. It will need reagent H₂SO₄ and solvent benzene with the reaction time of 15 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC\C=C
(2)Std. InChI: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
(3)Std. InChIKey: HVAMZGADVCBITI-UHFFFAOYSA-N

The toxicity data is as follows: