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Rev. 27 Table 1 Table 1: Chemicals of Concern and Associated Chemical Information. PACs Rev 27, February 2012 Table 1 is an alphabetical list of the chemical substances, their Chemical Abstracts Service Registry Numbers (CASRNs)1, and pertinent physical constants. Future reviews will result in continuous updates to these data. There are also columns that provide the date of the original derivation of the PAC values, the date of the last technical review of the data used for deriving the PAC values, and the date of the last revision of the data used to derive the PAC values. The information presented in this table is derived from various sources including: . The Handbook of Chemistry and Physics Lide, D. R. (Ed.) (2009). CRC Handbook of Chemistry and Physics, CD Rom (90th Edition-2010 Version). Boca Raton, FL: Taylor and Francis. Hazardous Substances Data Bank (HSDB) The HSDB is “comprehensive, peer-reviewed toxicology data for about 5,000 chemicals” and it is accessible online at: http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?HSDB. The Merck Index O’Neil, M. J. (Ed.) (2006). Encyclopedia of Chemicals, Drugs, and Biologicals (14th edition). Merck Research Laboratories. Whitehouse Station, NJ. SAX Lewis, R. J., Sr. (2005). Sax's Dangerous Properties of Industrial Materials (11th Edition). New York: John Wiley & Sons. Sometimes data on physicochemical properties vary among sources. As the physical constants presented in this table are obtained from published sources, users are advised to consult trusted references to verify the accuracy of the information. Information on PAC values and Temporary Emergency Exposure Limits (TEELs) and links to other sources of information are provided on the Subcommittee on Consequence Assessment and Protective Actions (SCAPA) webpage at: http://orise.orau.gov/emi/scapa/teels.htm. 1 Information on the Chemical Abstracts Service and CASRNs is provided at http://info.cas.org/. Introduction to PAC Table 1 – PAC Rev 27 – February 2012 The information provided in Table 1 is described below; it covers two pages. Heading Definition No. The ordered numbering of the chemicals as they appear in this alphabetical listing Chemical Compound The name of the chemical substance submitted to the PAC development team CAS Number (CASRN) The Chemical Abstracts Service Registry Number for this chemical Molecular Weight (MW) The molecular weight of this chemical Units of Original Limits This provides the units of measure (e.g., ppm, mg/m3) that were initially used to request PAC values. ppm to mg/m3 Conversion factor used to convert “parts per million” to 3 First Page in Table in Page First “mg/m ” Molecular Formula (MF) The composition of elements for this chemical State at 25ºC Physical state of the chemical (S=solid, L=liquid, G=gas) at 25ºC MP or FP (ºC) The melting point/freezing point of the chemical in ºC No. The ordered numbering of the chemicals as they appear in this alphabetical listing Chemical Compound The name of the chemical substance submitted to the PAC development team CAS Number (CASRN) The Chemical Abstracts Service Registry Number for this chemical BP (ºC) @ 760 mm Hg unless The boiling point of the chemical in ºC at 760 mm Hg indicated unless otherwise stated Vapor Pressure – mm Hg The pressure (often expressed in millimeters of mercury, mm Hg) characteristic at any given temperature of a vapor in equilibrium with its liquid or solid form Vapor Pressure – T (ºC) The temperature at which the vapor pressure was measured (25ºC assumed if not stated) SG @ 25ºC unless indicated Specific Gravity (i.e., density of a substance divided by the density of water) of the chemical Second Page in Table in Page Second LEL (ppm) The lower explosive limit PAC-TEEL Derivation/ The date or nearest approximate date on which the PAC Review/Revision Dates – values were derived Originally Derived PAC-TEEL Derivation/ The date on which data or other information was reviewed Review/Revision Dates – Last Reviewed PAC-TEEL Derivation/ The date on which after a review of the input data, changes Review/Revision Dates – Last were made to the data and/or PAC values (e.g., publication Revised of new AEGL values) Introduction to PAC Table 1 – PAC Rev 27 – February 2012 February 2012 Table 1: Chemicals of Concern and Associated Chemical Information PAC Rev 27 Units of State CAS Number Molecular ppm to MP or FP No. Chemical Compound Original Molecular Formula (MF) at (CASRN) Weight (MW) mg/m3 (°C) Limits 25°C 1 Acacia; (Gum arabic) 9000-01-5 240000 mg/m3 9809.13 [Unspecified] S 91.8 2 Acenaphthene 83-32-9 154.22 mg/m3 6.30 C12H10 S 95 3 Acenaphthylene 208-96-8 152.19 mg/m3 6.22 C12H8 S 91.8 4 Acetaldehyde 75-07-0 44.05 ppm 1.80 C2H4O L / G -123.37 S 5 Acetamide 60-35-5 59.067 mg/m3 2.41 C2H5NO 80.16 crystals 6 Acetanilide 103-84-4 135.18 mg/m3 5.52 C8H9NO S 113.5 7 Acetic acid 64-19-7 60.05 ppm 2.45 C2H4O2 L 16.64 Acetic acid ethenyl ester, polymer with 1,1-bis(ethenyloxy) 8 27360-07-2 mg/m3 (C8.H14.O2.C4.H6.O2.C2H4.O)x S butane and ethenol 9 Acetic acid, 2-propenyl ester 591-87-7 100.13 ppm 4.09 C5.H8.O2 10 Acetic acid, lithium salt 546-89-4 67 mg/m3 2.74 C2.H3.O2.Li S 280-285 11 Acetic acid, manganese(2+) salt, tetrahydrate 6156-78-1 245.12 mg/m3 10.02 C4.H6.O4-Mn-4(H2.O) S 12 Acetic acid, manganese(II) salt (2:1) 638-38-0 173.04 mg/m3 7.07 C4.H6.O4.Mn S 210 13 Acetic anhydride 108-24-7 102.1 ppm 4.17 C4H6O3 L -73.1 14 Acetone 67-64-1 58.08 ppm 2.37 C3H6O L -94.7 15 Acetone thiosemicarbazide 1752-30-3 131.22 mg/m3 5.36 C4.H9.N3.S S 16 Acetone-d6 666-52-4 64.1164 ppm 2.62 C3.D6.O L -93 17 Acetonitrile 75-05-8 41.05 ppm 1.68 C2H3N L -43.82 18 Acetonitrile-d3 2206-26-0 44.0707 ppm 1.80 C2.D3.N L L or S @ 19 Acetophenone 98-86-2 120.149 mg/m3 4.91 C8H8O 20.5 low temp 20 Acetoxytriphenylstannane 900-95-8 409.07 mg/m3 16.72 C20.H18.O2.Sn S 122 21 Acetyl bromide 506-96-7 122.948 ppm 5.03 C2H3BrO L -96.5 22 Acetyl carbinol; (Acetol (1); 1-Hydroxy-2-propanone) 116-09-6 74.09 mg/m3 3.03 C3.H6.O2 L -7 This table provides physicochemical information obtained from various references. Note that sometimes these values will differ from reference to reference. Chemicals with AEGLs: large, bolded font. ERPGs (but no AEGLs): bolded font. 1 February 2012 Table 1: Chemicals of Concern and Associated Chemical Information PAC Rev 27 PAC-TEEL Derivation/Review/Revision Vapor Pressure Dates BP (°C) @ SG @ 25°C CAS Number LEL No. Chemical Compound 760 mm Hg unless (CASRN) (ppm) Originally Last Last unless indicated mm Hg T (°C) indicated Derived Reviewed Revised 1 Acacia; (Gum arabic) 9000-01-5 280 7.5x10-3 24 0.8987 04/14/04 08/21/07 12/31/11 2 Acenaphthene 83-32-9 277.5 10 131.2 1.024 6000 01/04/99 01/19/12 01/19/12 3 Acenaphthylene 208-96-8 280 7.5x10-3 24 0.8987 @ 16ºC 09/30/97 12/23/11 12/31/11 4 Acetaldehyde 75-07-0 20.1 750 20 0.7834 @ 18C 40000 12/30/95 08/18/09 5 Acetamide 60-35-5 222 4.0 x 10-2 25 1.159 @ -20ºC 36000 09/30/97 12/05/11 12/31/11 6 Acetanilide 103-84-4 305 1 114 1.2105 @ 4C 10/11/05 04/03/08 12/31/11 7 Acetic acid 64-19-7 117.9 7.5 14.2 1.0446 40000 11/15/96 08/18/09 01/16/08 Acetic acid ethenyl ester, polymer with 1,1-bis(ethenyloxy) 8 27360-07-2 1.083 10/11/05 02/01/08 12/31/11 butane and ethenol 9 Acetic acid, 2-propenyl ester 591-87-7 21000 12/08/02 10/15/06 12/31/11 10 Acetic acid, lithium salt 546-89-4 1.25 10/11/05 10/15/06 12/31/11 11 Acetic acid, manganese(2+) salt, tetrahydrate 6156-78-1 1.59 10/11/05 07/06/10 12/31/11 12 Acetic acid, manganese(II) salt (2:1) 638-38-0 1.74 10/11/05 07/06/10 12/31/11 1.082 @ 13 Acetic anhydride 108-24-7 139.55 10 36 27000 08/07/98 12/05/11 11/14/07 20ºC/4ºC 14 Acetone 67-64-1 56.05 75 1.3 0.7845 25000 11/30/92 08/18/09 10/11/05 15 Acetone thiosemicarbazide 1752-30-3 12/08/02 03/02/09 12/31/11 16 Acetone-d6 666-52-4 55.5 0.872 25000 07/11/07 02/16/10 17 Acetonitrile 75-05-8 81.65 75 21.4 0.7857 @ 20C 30000 10/31/92 08/18/09 18 Acetonitrile-d3 2206-26-0 80.7 0.844 10/31/92 02/16/10 03/02/09 19 Acetophenone 98-86-2 202 0.75 36 1.0281 @ 20C 11000 12/30/95 08/18/09 12/31/11 20 Acetoxytriphenylstannane 900-95-8 1.9 uPa 20 1.55 @ 20C 12/08/02 01/08/09 12/31/11 21 Acetyl bromide 506-96-7 76.7 122 25 1.52 @ 9.5C 35958 06/13/02 12/05/11 12/31/11 22 Acetyl carbinol; (Acetol (1); 1-Hydroxy-2-propanone) 116-09-6 145-146 1.082 10/31/92 08/18/09 12/31/11 This table provides physicochemical information obtained from various references.
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