PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Neodecanoic acid, calcium salt; (Calcium neodecanoate) 27253-33-4
4.00
3.00








Formula Synonyms
C20.H38.Ca.O4
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
382.5978 S
PAC Values
PAC Values (Original Units: mg/m3)
PAC-1 PAC-2 PAC-3
14 150 910
Converted PAC Values (ppm)
PAC-1 PAC-2 PAC-3
0.89 9.6 58
Technical Basis
A review of available sources did not identify exposure limits or acute toxicity data for calcium nedodecanoate. This compound is one of many possible inorganic salts of neodecanoic acid (CASRN: 26896-20-8); as such, available acute toxicity data for neodecanoic acid was used for TEEL development (Section 3.4.3.2). Data sources were selected according to the hierarchy listed in Table 3.1. Toxicity data were selected according to type of exposure, species, and route according to the hierarchies stated in Sections 3.3.1, 3.3.2, and evaluated using factors in Tables 3.2, 3.3, and 3.4. A rat oral LD50 was selected as the TEEL-3 basis and a molecular weight adjustment was applied (Section 3.4.3.2). TEEL-2 and TEEL-1 values were derived according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = MW-adjusted rat oral LD50 (2066 mg/kg)
This review generated TEEL values inconsistent with Rev 29A. The Rev. 29A and current TEEL-3 source are consistent (rat oral LD50) with minor differences which may be attributed to rounding of the source (2000 mg/kg vs. 2066 mg/kg). The Rev. 29A and current TEEL-2/TEEL-1 use the same methodology, with differences due to the change in TEEL-3.
References
Rat oral LD50: https://echa.europa.eu/de/registration-dossier/-/registered-dossier/15692/7/3/3
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Calcium-neodecanoate
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