Allyl acetate
Title: Allyl acetate
CAS Registry Number: 591-87-7
CAS Name: Acetic acid 2-propenyl ester
Additional Names: 3-acetoxy-1-propene
Molecular Formula: C5H8O2
Molecular Weight: 100.12
Percent Composition: C 59.98%, H 8.05%, O 31.96%
Line Formula: CH2=CHCH2OCOCH3
Literature References: Prepn: N. Zinin, Ann. 1855, 361; K. N. Gurudutt et al., Tetrahedron 38, 1843 (1982); and physical properties: G. H. Jeffery, A. I. Vogel, J. Chem. Soc. 1948, 658. Vibrational spectra and thermodynamic functions: B. Singh et al., Proc. Indian Acad. Sci. 89, 201 (1980). Acute toxicity: H. F. Smyth, Jr. et al., J. Ind. Hyg. Toxicol. 31, 60 (1949); P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964). Effect on respiratory function in mice: G. D. Nielsen et al., Acta Pharmacol. Toxicol. 54, 292 (1984).
Properties: bp760 104° (Gurudutt); also reported as bp773 104° (Jeffery, Vogel), bp 105° (Zinin). nD 1.40396. d420 0.9277. LD50: 0.13 g/kg orally in rats; 1.1 ml/kg dermally in rabbits (Smyth). LD50 in rats, mice (mg/kg): 142, 170 orally (Jenner).
Boiling point: bp760 104° (Gurudutt); bp773 104° (Jeffery, Vogel); bp 105° (Zinin)
Index of refraction: nD 1.40396
Density: d420 0.9277
Toxicity data: LD50: 0.13 g/kg orally in rats; 1.1 ml/kg dermally in rabbits (Smyth); LD50 in rats, mice (mg/kg): 142, 170 orally (Jenner)

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