PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Nabumetone; (Relafen; 4-(6-Methoxy-2-naphthyl)-2-butanone) 42924-53-8
11.01
4.05
11.00
4.09
4.07
3.09
3.02
3.10
3.07
5.10
Formula Synonyms
C15H16O2
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
228.29 S 80
PAC Values
PAC Values (Original Units: ppm)
PAC-1 PAC-2 PAC-3
1.0 11 66
Converted PAC Values (mg/m3)
PAC-1 PAC-2 PAC-3
9.3 100 620
Technical Basis
A review of available data sources identified the following: LD50 (mouse2, rat3, monkey4) and TDLo5 oral route exposures. Each was evaluated using the guidelines for calculating equivalent concentrations. A duration of 1 day was assumed for the oral route for LCeq calculations, when unspecified. Toxicity data were evaluated for their relative preference ranking. The monkey LD50 data was selected to estimate a TEEL-3 value6. Although the preferred starting point for the TEEL-2 is the human female TDLo, it was not selected because its long exposure duration (6 weeks.) Instead, TEEL-2 and TEEL-1 values were calculated from the TEEL-3 value, according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Estimated from monkey, oral LD50
This review generated TEEL values inconsistent with those published in Rev. 29A.
References
https://pubchem.ncbi.nlm.nih.gov/compound/4409
Mouse, oral LC50: Kiso to Rinsho. Clinical Report., 22(2939), 1988; via PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4409#section=Acute-Effects
Rat, oral LD50: Kiso to Rinsho. Clinical Report., 22(2939), 1988; via PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4409#section=Acute-Effects
Monkey, oral LD50: Kiso to Rinsho. Clinical Report., 22(2939), 1988; via PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4409#section=Acute-Effects
Human female, oral TDLo, 6-week exposure: Postgraduate Medical Journal., 67(1021), 1991; via PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4409
Species and route are ranked according to the preferences stated in Section 3.3.2, while the data selection hierarchy from Table 3.1.
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PAC values marked with a subscript "A" correspond to 60-minute AEGL values.
PAC values marked with a subscript "E" correspond to ERPG values.
PAC values marked by * are >= 10% lower explosive limit (LEL) but < 50% LEL.
PAC values marked by ** are > 50% LEL but < 100% LEL.
PAC values marked by *** are >= LEL.