PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dimethyl-3-pentanone, 2,4- | 565-80-0 |
15.01
7.01
11.01
4.03
3.09
15.02
11.00
4.05
4.10
4.09
|
||||||||||
| Formula | Synonyms | |||||||||||
| C7.H14.O | ||||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 114.21 | L | 125.4 | 0.8108 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 2.3 | 25 | 150 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 11 | 120 | 700 |
Technical Basis
A review of available data sources identified the following: LCLo1, LC502, and LD50 3 exposures. Each was evaluated using the guidelines for calculating equivalent values in the TEEL Handbook. A duration of 1 day was assumed for the LCeq calculation and inhalation exposures time-scaled to a 60-minute equivalent with the ten Berge equation (Section 3.3.4). Toxicity data were evaluated for their relative preference ranking (Section 3.3.2, Table 3.1). Although inhalation exposures are preferred, the LC50 was not selected because it was determined to be an assumed value for a chemical class (ketones, see reference.) The LCLo was reported as a lower limit but designated an LD50 by the source; in either case (LC50 vs. LCLo) the estimated TEEL values were within 7-10% of TEEL estimates from the LD50. Due to this lack of clarity in the second inhalation toxicity exposure, and comparable TEEL estimates, the LD50 was selected as the starting point for the TEEL-3. TEEL-2 and TEEL-1 values were calculated from this TEEL-3 value, according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Estimated from rat, oral LD50 (3536 mg/kg)
This review generated TEEL values consistent with those published in Rev. 29A.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Estimated from rat, oral LD50 (3536 mg/kg)
This review generated TEEL values consistent with those published in Rev. 29A.
References
Rat, 6-hr LCLo (reported as an LC50, but the value is a lower limit, therefore evaluated as an LCLo): United States Environmental Protection Agency, Office of Pesticides and Toxic Substances., 8EHQ-0990-1062; via PubChem: https://pubchem.ncbi.nlm.nih.gov/compound/11271#section=Acute-Effects.
Rat, 4-hr LC50: https://haz-map.com/Agents/10820. A value assigned by chemical class, as ascertained from the note: “The Guide in the Emergency Response Guidebook is for ‘Ketones, liquid, n.o.s.’ VP from ChemIDplus.”
Rat, oral LD50: United States Environmental Protection Agency, Office of Pesticides and Toxic Substances., 8EHQ-0990-1062; via PubChem: https://pubchem.ncbi.nlm.nih.gov/compound/11271#section=Acute-Effects.