Alternative Aircraft Anti-Icing Formulations with Reduced Aquatic Toxicity and Biochemical Oxygen Demand (2010)

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Appendix B Details on Candidate ADF FPDs Recommended for Further Evaluation

B-1 FINAL CANDIDATE FPDS FOR ADFS AND AAFS The following paragraphs detail information for each candidate FPD selected for experimental evaluation: Ethylene Carbonate: Candidate 027.01. This candidate’s CAS number is 96-49-1. Its chemical formula is C3H4O3. Ethylene carbonate is used as a safe, environmentally friendly solvent. Its melting point is 36.8°C (5). Its flash point is 160°C (6). Its Aldrich catalog price is $10.68 per kilogram. Its theoretical oxygen demand is 0.908 g oxygen per g chemical. Quantitative values could not be found for its aquatic toxicity. Its rat oral LD50 is 10,000 mg/kg (11). 1,2-Propylene glycol: Candidate 039.03. This candidate’s CAS number is 57-55-6. Its chemical formula is C3H8O2. 1,2-Propylene glycol is widely used in deicing fluids and other antifreeze products. It is also used as a humectant in foods, an emollient in cosmetics, a solvent for food colors, and as an industrial heat transfer fluid. Its melting point is -60°C (5). Its flash point is 225°F (6). Its Aldrich catalog price is $15.41 per kilogram. Its theoretical oxygen demand is 1.682 g oxygen per g chemical. Its 96 hour LC50 for fathead minnow is 55,700 mg/L (10). Its rat oral LD50 is 20,000 mg/kg (11). Although noninjurious, a drop applied to the human eye causes immediate stinging (12). A composition of 39% by weight 1,2- propylene glycol in water would have an initial freezing point of -20°C (8). We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) biological oxygen demand. 1,3-Propylene glycol: Candidate 039.04. This candidate’s CAS number is 504-63-2. Its chemical formula is C3H8O2. Its melting point is -27°C (5). Its flash point is greater than 230°F (6). Its Aldrich catalog price is $139.00 per kilogram. Its theoretical oxygen demand is 1.682 g oxygen per g of chemical. Its 24 hour LC50 for goldfish is greater than 5,000 mg/L (10). Its mouse oral LD50 is 4,773 mg/kg (11). No information on human health effects was found for this candidate. We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) freezing point depression with water; 4) biological oxygen demand. Glycerol: Candidate 040.01. This candidate’s CAS number is 56-81-5. Its chemical formula is C3H8O3. Glycerol is used as a solvent, humectant, emollient, sweetener, and plasticizer. Its freezing point is 20°C (5) although its high liquid viscosity promotes significant subcooling. Its flash point is 320°F (6). Its Aldrich catalog price is $14.04 per kilogram. Its theoretical oxygen demand is 1.216 g oxygen per g chemical. Its 96 hour LC50 for rainbow trout is 54 ml/L (10). Its rat oral LD50 is 12,600 mg/kg (11). Glycerol dropped onto the human eye causes a strong stinging and burning sensation but no obvious injury (12). We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) freezing point depression with water; 4) biological oxygen demand.

APPENDIX B B-2 Propylene carbonate: Candidate 059.02. This candidate’s CAS number is 108-32-7. Its chemical formula is C4H6O3. Propylene carbonate is used as a solvent in lithium batteries, a plasticizer and as an extraction solvent. Its melting point is -55°C (5). Its flash point is 270°F (6). Its Aldrich catalog price is $13.80 per kilogram. Its theoretical oxygen demand is 1.254 g oxygen per g chemical. No data was found on aquatic toxicity. Its mouse oral LD50 is 20,700 mg/kg (11). No information on human health effects was found for this candidate. We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) freezing point depression with water; 4) biological oxygen demand. 2,3-Butanediol: Candidate 071.02. This candidate’s CAS number is 513-85-9. Its chemical formula is C4H10O2. 2,3-Butanediol is used as a solvent for dyes, a humectant, plasticizer and a cross-linker. Its melting point is 25°C (5). Its flash point is 185°F (6). Its Aldrich catalog price is $499.00 per kilogram. Its theoretical oxygen demand is 1.953 g oxygen per g chemical. No data was found on aquatic toxicity. Its mouse LD50 is 5,462 mg/kg (11). No information on human health effects was found for this candidate. We recommend that additional pricing information first be obtained. Only if a significantly lower price is found would we then recommend the following experiments: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) freezing point depression with water; 4) biological oxygen demand. 1,3-Butanediol: Candidate 071.04. This candidate’s CAS number is 107-88-0. Its chemical formula is C4H10O2. 1,3-Butanediol is used in deicing fluids, in the cosmetic and pharmaceutical industry as a glycerin substitute, and as a plasticizer. It is an efficient antimicrobial agent, inhibiting gram-negative and gram-positive microorganisms, molds and yeasts (12). Its melting point is -77°C {{415 Daubert, T. E. 1989}}. Its flash point is 250°F (6). Its Aldrich catalog price is $16.17 per kilogram. Its theoretical oxygen demand is 1.953 g oxygen per g chemical. No data was found on aquatic toxicity. Its rat oral LD50 is 18,610 mg/kg (11). It is considered to be slightly toxic with the probable oral lethal dose in humans between 5 and 15 g/kg (12). A small drop applied to the eye will cause immediate severe stinging but irrigation with water brings rapid and complete relief. We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) freezing point depression with water; 4) biological oxygen demand. 2-Methyl-1,3-propanediol: Candidate 071.12. This candidate’s CAS number is 2163-42-0. Its chemical formula is C4H10O2. Used as an emulsifier and humectant in personal care products. Its melting point is reported to be below -50°C (6). Its flash point is greater than 110°C. Its Aldrich catalog price is $16.17 per kilogram. Its theoretical oxygen demand is 1.953 g oxygen per g chemical. Quantitative values could not be found for its aquatic toxicity. Its rat oral LD50 is greater than 5,000 mg/kg (11) . Diethylene glycol: Candidate 072.01. This candidate’s CAS number is 111-46-6. Its chemical formula is C4H10O3. Diethylene glycol (DEG) is used as a deicing fluid, humectant, solvent, mold release agent, and lubricant additive. Its melting point is -10°C (5). Its flash point is 290°F (6). Its Aldrich catalog price is $14.28 per kilogram. Its theoretical oxygen demand is 1.508 g oxygen per g of chemical. Its 96 hour LC50 for fathead minnow is 75,200 mg/L (10). Its rat oral LD50 is 12,565 mg/kg (11). The major hazard to humans from DEG is from the

APPENDIX B B-3 ingestion of a single large dose (12). The lethal dose for humans is approximately 1 ml/kg. It is not irritating to the eyes or skin. A composition of 45% by weight DEG in water would have an initial freezing point of -20°C (8). We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) biological oxygen demand. 4-Methyl-γ-butyrolactone: Candidate 097.05. This candidate’s CAS number is 108-29-2. Its chemical formula is C5H8O2. Its melting point is -31°C (5). Its flash point is 204.8°F (6). Its Aldrich catalog price is $367.00 per kilogram. Its theoretical oxygen demand is 1.918 g oxygen per g chemical. No data was found on aquatic toxicity. Its rat oral LD50 is 8,800 mg/kg (11). No information on human health effects was found for this candidate. We recommend that additional pricing information first be obtained. Only if a significantly lower price is found would we then recommend the following experiments: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) freezing point depression with water; 4) biological oxygen demand. Dimethyl malonate: Candidate 099.01. This candidate’s CAS number is 108-59-8. Its chemical formula is C5H8O4. Its melting point is -62°C (5). Its flash point is 194°F (6). Its theoretical oxygen demand is 1.211 g oxygen per g chemical. No data was found on aquatic toxicity. Its rat oral LD50 is 5,331 mg/kg (11). No information on human health effects was found for this candidate. We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) freezing point depression with water; 4) biological oxygen demand. 2-(2-Methoxyethoxy)-ethanol: Candidate 111.02. This candidate’s CAS number is 111-77-3. Its chemical formula is C5H12O3. Its melting point is -70°C (6). Its flash point is 84°C. Aldrich catalog price is $12.61 per kilogram. Its theoretical oxygen demand is 1.731 g oxygen per g chemical. Its 96 hr LC50 for bluegill is 7,500 mg/L (10). Its rat oral LD50 is 5,500 mg/kg (11). Dimethyl succinate: Candidate 145.01. This candidate’s CAS number is 106-65-0. Its chemical formula is C6H10O4. Dimethyl succinate is used as a solvent for fruit flavors and as a flavoring compound. Its melting point is 17°C (5). Its flash point is 194°F (6). Its Aldrich catalog price is $128.02 per kilogram. Its theoretical oxygen demand is 1.423 g oxygen per g chemical. No data was found on aquatic toxicity. Its rat oral LD50 is greater than 5,000 mg/kg (11). No information on human health effects was found for this candidate. A solubility limit in water of 29% was reported (12). This limit may be too low to produce the freezing point depression needed to meet our requirements. We thus recommend the following experiments to further evaluate this candidate: 1) solubility limit in water at room temperature; 2) 96 hour LC50 for ceriodaphnia dubia; 3) 96 hour LC50 for fathead minnow; 4) freezing point depression with water; 5) biological oxygen demand. 2,2-Dimethyl-1,3-dioxolane-4-methanol: Candidate 059.02. This candidate’s CAS number is 100-79-8. Its chemical formula is C6H12O3. An experimental value for the melting point was not found. The melting point was estimated to be 28.3°C by Joback’s method (9). Its flash point is 176°F (6) although another source (11) reported a much lower flash point of 99°F. Its Aldrich catalog price is $58.83 per kilogram. Its theoretical oxygen demand is 1.816 g oxygen per g of chemical. Its 96 hour LC50 for fathead minnow is 16,700 mg/L (10). Its rat oral LD50 is 7,000 mg/kg (11). No information on human health effects was found for this candidate. We recommend the following experiments to further evaluate this candidate: 1) pure

APPENDIX B B-4 melting point determination; 2) pure flash point determination; 3) 96 hour LC50 for ceriodaphnia dubia; 4) freezing point depression with water; 5) biological oxygen demand. 2-(2-Ethoxyethoxy)-ethanol: Candidate 157.01. This candidate’s CAS number is 111-90-0. Its chemical formula is C6H14O3. A common synonym is diethylene glycol monoethyl ether. It is used as a solvent in coatings and a diluent in brake fluid. Its melting point is -78°C(34). Its flash point is 205°F (6). Its Aldrich catalog price is $12.81 per kilogram. Its theoretical oxygen demand is 1.908 g oxygen per g chemical. Its 96 hour LC50 for fathead minnow is 9,650 mg/L (10). Its rat oral LD50 is 5,500 mg/kg (11). This candidate probably does not pose a serious hazard from eye contact (12). We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) freezing point depression with water; 3) biological oxygen demand. Dipropylene glycol: Candidate 157.09. This candidate’s CAS number is 25265-71-8. Its chemical formula is C6H14O3. Dipropylene glycol is used as an antifreeze, plasticizer, solvent, and cosmetic additive. Its melting point is -40.2°C {{415 Daubert, T. E. 1989}}. Its flash point is 280°F (6). Its Aldrich catalog price is $25.97 per kilogram. Its theoretical oxygen demand is 1.908 g oxygen per g of chemical. Its 24 hour LC50 for goldfish is greater than 5,000 mg/L (10). Its rat oral LD50 is 14,850 mg/kg (11). Industrial handling and use of dipropylene glycol should present no significant problems from ingestion, skin contact, or vapor inhalation (12). A composition of 48% by weight dipropylene glycol in water would have an initial freezing point of -20°C (8). We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) 96 hour LC50 for fathead minnow; 3) biological oxygen demand. Triethylene glycol: Candidate 158.01. This candidate’s CAS number is 112-27-6. Its chemical formula is C6H14O4. Triethylene glycol is used as a deicing fluid, humectant, solvent, lubricant, and plasticizer. Its melting point is -7°C (5). Its flash point is 330°F (6). Its Aldrich catalog price is $12.95 per kilogram. Its theoretical oxygen demand is 1.598 g oxygen per g of chemical. Its 96 hour LC50 for fathead minnow is 59,900 mg/L (10). Its rat oral LD50 is 17,000 mg/kg (11). Triethylene glycol may be considered safe for many applications where intake is limited (12). Essentially no hazard exists with respect to skin and eye contact or even prolonged inhalation. A composition of 48% by weight triethylene glycol in water would have an initial freezing point of -20°C (8). We recommend the following experiments to further evaluate this candidate: 1) 96 hour LC50 for ceriodaphnia dubia; 2) biological oxygen demand.