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Octane: 111-65-9 2,2,4-Trimethylpentane (Isooctane): 540-84-1 Other 16 Isomers

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Octane: 111-65-9 2,2,4-Trimethylpentane (Isooctane): 540-84-1 Other 16 Isomers Development Support Document Final, September 30, 2016 Octane, All Isomers CAS Registry Number: Octane: 111-65-9 2,2,4-Trimethylpentane (Isooctane): 540-84-1 Other 16 Isomers Prepared by Jong-Song Lee, Ph.D. Toxicology Division Office of the Executive Director TEXAS COMMISSION ON ENVIRONMENTAL QUALITY Octane, All Isomers Page i TABLE OF CONTENTS TABLE OF CONTENTS ............................................................................................................................................ I LIST OF TABLES ....................................................................................................................................................... I ACRONYMS AND ABBREVIATIONS ...................................................................................................................II CHAPTER 1 SUMMARY TABLES AND FIGURE ................................................................................................ 1 CHAPTER 2 MAJOR SOURCES AND USES ......................................................................................................... 4 CHAPTER 3 ACUTE EVALUATION ...................................................................................................................... 2 3.1 PHYSICAL/CHEMICAL PROPERTIES ...................................................................................................................... 2 3.2 HEALTH-BASED ACUTE 1-HOUR REV AND ESL.................................................................................................. 2 3.2.1 Octane ......................................................................................................................................................... 3 3.2.2 Isooctane ..................................................................................................................................................... 6 3.2.3 Reproductive/Developmental Toxicity Studies ............................................................................................ 9 acute 3.2.4 Health-Based Acute ReV and ESL ....................................................................................................... 10 3.3 HEALTH-BASED ACUTE 24-HOUR REV ............................................................................................................. 11 3.3.1 Octane ....................................................................................................................................................... 11 3.3.2 Isooctane ................................................................................................................................................... 12 3.4 WELFARE-BASED ACUTE ESLS ......................................................................................................................... 12 3.4.1 Odor Perception ........................................................................................................................................ 12 3.4.2 Vegetation Effects...................................................................................................................................... 12 3.5 SHORT-TERM ESLS AND VALUES FOR AIR MONITORING DATA EVALUATIONS ................................................ 12 3.5.1 Other Octane Isomers ............................................................................................................................... 12 3.6 ACUTE INHALATION OBSERVED ADVERSE EFFECT LEVELS (IOAELS) ............................................................. 12 CHAPTER 4 CHRONIC EVALUATION............................................................................................................... 13 4.1 PHYSICAL/CHEMICAL PROPERTIES .................................................................................................................... 13 4.2 HEALTH-BASED TOXICITY FACTORS ................................................................................................................. 13 4.2.1 Octane ....................................................................................................................................................... 13 4.2.2 Isooctane ................................................................................................................................................... 15 chronic 4.2.3 Summary of the Health-Based Chronic ReV and ESLnonlinear(nc) ......................................................... 18 4.3 CARCINOGENIC POTENTIAL ............................................................................................................................... 19 4.4 WELFARE-BASED CHRONIC ESL ....................................................................................................................... 20 CHRONIC 4.5 CHRONIC REV AND ESLNONLINEAR(NC) ........................................................................................................... 20 4.5.1 Other Octane Isomers ............................................................................................................................... 20 4.6 CHRONIC INHALATION OBSERVED ADVERSE EFFECT LEVELS (IOAELS) .......................................................... 20 CHAPTER 5 REFERENCES ................................................................................................................................... 21 LIST OF TABLES Table 1 Air Monitoring Comparison Values (AMCVs) for Ambient Air .................................................... 1 Table 2 Air Permitting Effects Screening Levels (ESLs) ............................................................................. 2 Table 3 Chemical and Physical Data ............................................................................................................ 3 Table 4 Isomers of Octane and CAS No. ...................................................................................................... 4 acute Table 5 Summary of Acute ReV and ESL for Octane and Isooctane .................................................... 11 chronic Table 6 Summary of Chronic ReV and ESLthreshold(nc) for Octane and Isooctane ................................ 19 Octane, All Isomers Page ii Acronyms and Abbreviations Acronyms and Definition Abbreviations ACGIH American Conference of Governmental Industrial Hygienists AMCV air monitoring comparison value oC degrees celsius CNS central nervous system DSD development support document ESL effects screening level acuteESL acute health-based effects screening level for chemicals meeting minimum database requirements acute ESLodor acute odor-based effects screening level acute ESLveg acute vegetation-based effects screening level chronice ESLgeneric chronic health-based effects screening level for chemicals not meeting minimum database requirements chronic ESLthreshold(c) chronic health-based Effects Screening Level for threshold dose response cancer effect chronic ESLthreshold(nc) chronic health-based Effects Screening Level for threshold dose response noncancer effects chronic ESLnonthreshold(c) chronic health-based Effects Screening Level for nonthreshold dose response cancer effects chronic ESLnonthreshold(nc) chronic health-based Effects Screening Level for nonthreshold dose response noncancer effects chronic ESLveg chronic vegetation-based effects screening level FOB functional observational battery GD gestation day GLP good laboratory practice h hour(s) Hb/g blood:gas partition coefficient (Hb/g)A blood:gas partition coefficient, animal (Hb/g)H blood:gas partition coefficient, human Octane, All Isomers Page iii Acronyms and Definition Abbreviations mm Hg millimeters of mercury HEC human equivalent concentration HQ hazard quotient IARC International Agency for Research on Cancer kg kilogram LEL lower explosive limit LOAEL lowest-observed-adverse-effect-level MW molecular weight µg microgram µg/m3 micrograms per cubic meter of air mg milligrams mg/m3 milligrams per cubic meter of air min minute(s) MOA mode of action NOAEL no-observed-adverse-effect-level OECD Organization for Economic Cooperation and Development POD point of departure PODADJ point of departure adjusted for exposure duration PODHEC point of departure adjusted for human equivalent concentration ppb parts per billion ppm parts per million RD50 50% depression in respiratory rate ReV reference value RGDR regional gas dose ratio SD Sprague-Dawley rats TCEQ Texas Commission on Environmental Quality TD Toxicology Division Octane, All Isomers Page iv Acronyms and Definition Abbreviations TMP 2,2,4-trimethylpentane or isooctane UF uncertainty factor UFH interindividual or intraspecies human uncertainty factor UFA animal to human uncertainty factor UFSub subchronic to chronic exposure uncertainty factor UFL LOAEL to NOAEL uncertainty factor UFD incomplete database uncertainty factor USEPA United States Environmental Protection Agency VEP Visual evoked potential Octane, All Isomers Page 1 Chapter 1 Summary Tables and Figure Table 1 for air monitoring and Table 2 for air permitting provide a summary of health- and welfare-based values from an acute and chronic evaluation of two isomers of octane (n-octane and isooctane). Please refer to Section 1.6.2 of the TCEQ Guidelines to Develop Toxicity Factors (TCEQ 2015a) for an explanation of reference values (ReVs) and effects screening levels (ESLs) used for review of ambient air monitoring data and air permitting. Table 3 provides summary information on physical/chemical data for n-octane (hereafter octane) and 2,2,4-trimethylpentane (hereafter isooctane). Table 1 Air Monitoring Comparison
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