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TOX-48: Allyl Acetate (CASRN 591-87-7), Allyl Alcohol (CASRN

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TOX-48: Allyl Acetate (CASRN 591-87-7), Allyl Alcohol (CASRN National Toxicology Program Toxicity Report Series Number 48 NTP Technical Report on the Comparative Toxicity Studies of Allyl Acetate, Allyl Alcohol, and Acrolein (CAS Nos. 591-87-7, 107-18-6, and 107-02-8) Administered by Gavage to F344/N Rats and B6C3F1 Mice July 2006 National Institutes of Health Public Health Service U.S. Department of Health and Human Services FOREWORD The National Toxicology Program (NTP) is an interagency program within the Public Health Service (PHS) of the Department of Health and Human Services (HHS) and is headquartered at the National Institute of Environmental Health Sciences of the National Institutes of Health (NIEHS/NIH). Three agencies contribute resources to the program: NIEHS/NIH, the National Institute for Occupational Safety and Health of the Centers for Disease Control and Prevention (NIOSH/CDC), and the National Center for Toxicological Research of the Food and Drug Administration (NCTR/FDA). Established in 1978, the NTP is charged with coordinating toxicological testing activities, strengthening the science base in toxicology, developing and validating improved testing methods, and providing information about potentially toxic substances to health regulatory and research agencies, scientific and medical communities, and the public. The Toxicity Study Report series began in 1991. The studies described in the Toxicity Study Report series are designed and conducted to characterize and evaluate the toxicologic potential of selected substances in laboratory animals (usually two species, rats and mice). Substances selected for NTP toxicity studies are chosen primarily on the basis of human exposure, level of production, and chemical structure. The interpretive conclusions presented in the Toxicity Study Reports are based only on the results of these NTP studies. Extrapolation of these results to other species, including characterization of hazards and risks to humans, requires analyses beyond the intent of these reports. Selection per se is not an indicator of a substance’s toxic potential. The NTP conducts its studies in compliance with its laboratory health and safety guidelines and FDA Good Laboratory Practice Regulations and must meet or exceed all applicable federal, state, and local health and safety regulations. Animal care and use are in accordance with the Public Health Service Policy on Humane Care and Use of Animals. Studies are subjected to retrospective quality assurance audits before being presented for public review. NTP Toxicity Study Reports are indexed in the NIH/NLM PubMed database and are available free of charge electronically on the NTP website (http://ntp.niehs.nih.gov) or in hardcopy upon request from the NTP Central Data Management group at [email protected] or (919) 541-3419. National Toxicology Program Toxicity Report Series Number 48 NTP Technical Report on the Comparative Toxicity Studies of Allyl Acetate, Allyl Alcohol, and Acrolein (CAS Nos. 591-87-7,107-18-6, and 107-02-8) Administered by Gavage to F344/N Rats and B6C3F1 Mice Rick D. Irwin, Ph.D., Study Scientist National Toxicology Program P.O. Box 12233 Research Triangle Park, NC 27709 NIH Publication No. 06-4413 National Institutes of Health Public Health Service U.S. Department of Health and Human Services 2 CONTRIBUTORS National Toxicology Program NTP Pathology Working Group Evaluated and interpreted results and reportedfindings Evaluated slides and prepared pathology report ofallyl acetate (January 8, 1997) R.D. Irwin, Ph.D., Study Scientist J.R. Bucher, Ph.D. J.C. Seely, D.V.M., Chairperson L.T. Burka, Ph.D. PATHCO, Inc. R.E. Chapin, Ph.D. S. Botts, M.S., D.V.M., Ph.D. Experimental Pathology Laboratories, Inc. R.S. Chhabra, Ph.D. R.A. Herbert, D.V.M., Ph.D. J. Mahler, D.V.M. National Toxicology Program C.S. Smith, Ph.D. J.R. Leininger, D.V.M., Ph.D. G.S. Travlos, D.V.M. National Toxicology Program M:K. Valiant, B.S., M.T. J. Mahler, D.V.M. K.L. Witt, M.S., ILS, Inc. National Toxicology Program A. Nyska, D.V.M. National Toxicology Program Battelle Columbus Laboratories A. Radovsky, D.V.M., Ph.D. Conducted studies, evaluated pathology findings National Toxicology Program D. Wolf, D.V.M., Ph.D. M.R. Hejtmancik, Ph.D., Principal Investigator Chemical Industry Institute ofToxicology M.J. Ryan, D.V.M., Ph.D. A.W. Singer, D.V.M. Evaluated slides and prepared pathology reports ofallyl alcohol J.D. Toft, II, D.V.M., M.S. and acrolein (March 4, 1997) J.C. Seely, D.V.M., Chairperson Experimental Pathology Laboratories, Inc. PATHCO, Inc. Provided pathology review S. Botts, M.S., D.V.M., Ph.D. Experimental Pathology Laboratories, Inc. J.F. Hardisty, D.V.M., Principal Investigator J.R. Leininger, D.V.M., Ph.D. S. Botts, M.S., D.V.M., Ph.D. National Toxicology Program J. Mahler, D.V.M. Constella Group, Inc. National Toxicology Program Provided statistical analyses A. Radovsky, D.V.M., Ph.D. National Toxicology Program P.W. Crockett, Ph.D., Principal Investigator D. Wolf, D.V.M., Ph.D. L.J. Betz, M.S. Chemical Industry Institute ofToxicology K.P. McGowan, M.B.A. J.T. Scott, M.S. Biotechnical Services, Inc. Prepared Toxicity Study Report S.R. Gunnels, M.A., Principal Investigator J.M. Gregory, B.S. D.C. Serbus, Ph.D. W.D. Sharp, B.A., B.S. P.A. Yount, B.S. 3 PEER REVIEW The draft report on the toxicity studies of allyl acetate, allyl alcohol, and acrolein was evaluated by the reviewers listed below. These reviewers serve as independent scientists, not as representatives of any institution, company, or governmental agency. In this capacity, reviewers determine if the design and conditions of these NTP studies are appropriate and ensure that the toxicity study report presents the experimental results and conclusions fully and clearly. James P. Kehrer, Ph.D. Mary Vore, Ph.D. College ofPharmacy Graduate Center for Toxicology University ofTexas University of Kentucky Austin, TX Lexington, KY 4 CONTENTS ABSTRACT . 5 INTRODUCTION . 9 MATERIALS AND METHODS . 17 Procurement and Characterization . 17 Preparation and Analysis of Dose Formulations . 17 Toxicity Study Designs . 18 Statistical Methods . 26 Quality Assurance . 26 Genetic Toxicology . 27 RESULTS.............................................................................. 33 Rats . 33 Mice . 55 Genetic Toxicology . 67 DISCUSSION . 69 REFERENCES . 73 APPENDIXES Appendix A Summary ofNonneoplastic Lesions in Rats . A-I Appendix B Summary ofNonneoplastic Lesions in Mice . B-1 Appendix C Clinical Pathology Results.. C-1 Appendix D Organ Weights and Organ-Weight-to-Body-Weight Ratios . D-1 Appendix E Reproductive Tissue Evaluations and Estrous Cycle Characterization . E-1 Appendix F 3-Hydroxypropyl Mercapturic Acid Concentrations . F-1 Appendix G Genetic Toxicology . G-1 Appendix H Chemical Characterization and Dose Formulation Studies . H-1 5 ABSTRACT Allyl Acetate Allyl Alcohol Acrolein O || CH3-C-O-CH2-CH=CH2 CH2=CH-CH2-OH CH2=CHCHO CAS Number: 591-87-7 107-18-6 107-02-8 Molecular Weight: 100.12 58.08 56.06 Synonyms and Trade Names: allyl alcohol, acetate; allylic alcohol; acraldehyde; 3-acetoxy-1-propene; 3-hydroxypropene; allyl aldehyde; 3-acetoxy-propene 1-propenol-3; 2-propenol; 2-propenal 2-propenyl alcohol; Shell unkrautted A; Weed Drench; vinyl carbinol Allyl acetate, allyl alcohol, and acrolein are used in the manufacture of detergents, plastics, pharmaceuticals, and chemicals and as agricultural agents and food additives. Male and female F344/N rats and B6C3F1 mice received allyl acetate, allyl alcohol, or acrolein by gavage for 14 weeks. Genetic toxicology studies were conducted in Salmonella typhimurium, Drosophila melanogaster, cultured Chinese hamster ovary cells, rat bone marrow erythrocytes, and mouse peripheral blood erythrocytes. Groups of 10 male and 10 female rats were administered 0, 6, 12, 25, 50, or 100 mg allyl acetate/kg body weight, 0, 1.5, 3, 6, 12, or 25 mg/kg allyl alcohol, or 0, 0.75, 1.25, 2.5, 5, or 10 mg/kg acrolein in 0.5% methylcellulose by gavage, 5 days per week for 14 weeks. Groups of 10 male and 10 female mice were administered 0, 8, 16, 32, 62.5, or 125 mg/kg allyl acetate, 0, 3, 6, 12, 25, or 50 mg/kg allyl alcohol, or 0, 1.25, 2.5, 5, 10, or 20 mg/kg acrolein in 0.5% methylcellulose by gavage, 5 days per week for 14 weeks. In the allyl acetate rat study, all males and females in the 100 mg/kg groups died or were killed moribund by day 8; there were no other deaths. In the allyl alcohol study, all rats survived to the end of the study except one 6 mg/kg female. In the acrolein rat study, eight males and eight females in the 10 mg/kg groups died by week 9 of the study. Two males in the 2.5 and 5 mg/kg groups and one or two females in the 1.25, 2.5, and 5 mg/kg groups also died early; two of these deaths were gavage accidents. In the allyl acetate mouse study, all males and females in the 125 mg/kg group died during the first week of the study. All other early deaths, except five 62.5 mg/kg males and one 32 mg/kg female, were gavage accidents. In the allyl alcohol mouse study, one 50 mg/kg female died due to a gavage accident; all other 6 Allyl Acetate, Allyl Alcohol, and Acrolein, NTP TOX 48 animals survived to the end ofthe study. In the acrolein mouse study, all males and females administered 20 mg/kg died during the first week ofthe study. All other early deaths, except one male and one female administered 10 mg/kg, were umelated to chemical administration. The concentration of3-hydroxypropyl mercapturic acid (3-HPM) in the urine ofrats and mice was determined after the first dose of chemical and at the end ofthe 14-week study.
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