PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Isobutyraldehyde | 78-84-2 | 2045 |
14.02
14.01
11.00
11.01
8.00
7.01
4.01
4.08
4.09
4.06
|
|||||||||
| Formula | Synonyms | |||||||||||
| C4H8O | ISOBUTYL ALDEHYDE, 2-FORMYLPROPANE, 2-METHYL-1-PROPANAL, 2-METHYLPROPANAL, 2-METHYLPROPIONALDEHYDE, ALDEHÍDO ISOBUTÍLICO (DOT SPANISH), ALDÉHYDE D^ISOBUTYLE (DOT FRENCH), ALPHA-METHYLPROPIONALDEHYDE, DIMETHYLACETALDEHYDE, ISO-BUTYRALDEHYDE, ISOBUTALDEHYDE, ISOBUTANAL, ISOBUTIRALDEHIDO (DOT SPANISH), ISOBUTYLALDEHYDE, ISOBUTYRAL, ISOBUTYRALDEHYDE, ISOBUTYRALDÉHYDE (DOT FRENCH), ISOBUTYRIC ALDEHYDE, ISOBUTYRYL ALDEHYDE, ISOPROPYL ALDEHYDE, ISOPROPYL FORMALDEHYDE, ISOPROPYLCARBOXALDEHYDE, ISOPROPYLFORMALDEHYDE, NCI-C60968, PROPANAL, 2-METHYL-, PROPIONALDEHYDE, 2-METHYL-, UN 2045, VALINE ALDEHYDE | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 72.12 | L | -65 | 64 | 173 | 25 | 0.7938 @ 20°C | 16000 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 75 | 140 | 830 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 220 | 410 | 2400 |
Technical Basis
A review of available sources identified a WEEL-TWA and numerous animal toxicity sources. 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 based on the hierarchies stated in Sections 3.3.1, 3.3.2, and evaluated using factors in Tables 3.2, 3.3, and 3.4. The most preferred source, a rat LC50, was selected as the TEEL-3 basis. It was scaled to 60-minute equivalent using the ten Berge equation (Section 3.3.4). TEEL-2 values were calculated according to Table 3.5. The WEEL-TWA was selected as the TEEL-1 basis.
• TEEL-1 = WEEL-TWA (25 ppm) x 3
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat 30-minute LC50 (60,000 ppm)
This review generated TEEL-2 and TEEL-3 values that are less conservative and therefore inconsistent with those in Rev. 29A. Previously, the TEEL-3 was based on a mouse 120-min LC50. Rat data is preferable to mouse data; the updated TEEL-3 basis reflects this preferability (Section 3.3.2).
• TEEL-1 = WEEL-TWA (25 ppm) x 3
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat 30-minute LC50 (60,000 ppm)
This review generated TEEL-2 and TEEL-3 values that are less conservative and therefore inconsistent with those in Rev. 29A. Previously, the TEEL-3 was based on a mouse 120-min LC50. Rat data is preferable to mouse data; the updated TEEL-3 basis reflects this preferability (Section 3.3.2).
References
National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 6561, Isobutyraldehyde. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/Isobutyraldehyde.
Rat 30-minute LC50: Page 14 of https://ntp.niehs.nih.gov/sites/default/files/ntp/htdocs/lt_rpts/tr472.pdf
WEEL-TWA: https://haz-map.com/Agents/2658