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Substance Name: Acetol
RN: 116-09-6
UNII: 7I7YM0835W
InChIKey: XLSMFKSTNGKWQX-UHFFFAOYSA-N
Classification Code
- Mutation Data
Molecular Formula
- C3-H6-O2
Molecular Weight
- 74.0784
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Acetol
Synonyms
- 1-Hydroxy-2-propanone
- 1-Hydroxyacetone
- 2-Oxopropanol
- 4-01-00-03977 (Beilstein Handbook Reference)
- Acetol
- Acetol (VAN)
- Acetone alcohol
- Acetylcarbinol
- Acetylmethanol
- AI3-37788
- BRN 0605368
- EINECS 204-124-8
- Hydroxyacetone
- Hydroxymethyl methyl ketone
- Methanol, acetyl-
- NSC 102497
- UNII-7I7YM0835W
Systematic Names
- 2-Propanone, 1-hydroxy-
- Hydroxy-2-propanone
- Hydroxyacetone
Registry Numbers
CAS Registry Number
- 116-09-6
FDA UNII
- 7I7YM0835W
System Generated Number
- 0000116096
Structure Descriptors
InChI
InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3InChIKey
XLSMFKSTNGKWQX-UHFFFAOYSA-NSmiles
CC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 2200mg/kg (2200mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.70E+01 | deg C | EXP | |
| Boiling Point | 145.5 | deg C | EXP | |
| log P (octanol-water) | -0.780 | (none) | EST | |
| Water Solubility | 1.00E+06 | mg/L | 20 | EXP |
| Vapor Pressure | 2.950 | mm Hg | 25 | EST |
| Henry's Law Constant | 7.73E-06 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 3.02E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.