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Substance Name: 2,3-Pentanedione
RN: 600-14-6
UNII: K4WBE45SCM
InChIKey: TZMFJUDUGYTVRY-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C5-H8-O2
Molecular Weight
- 100.1162
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2,3-Pentanedione
Synonyms
- 2,3-Pentadione
- 4-01-00-03660 (Beilstein Handbook Reference)
- Acetyl propionyl
- Acetyl propionyl (natural)
- Acetylpropionyl
- Acetylpropionyl (VAN)
- BRN 1699638
- CCRIS 2946
- EINECS 209-984-8
- FEMA No. 2841
- HSDB 8326
- NSC 7613
- UNII-K4WBE45SCM
Systematic Name
- 2,3-Pentanedione
Superlist Name
- 2,3-Pentanedione
Registry Numbers
CAS Registry Number
- 600-14-6
FDA UNII
- K4WBE45SCM
Other Registry Number
- 1341-45-3
System Generated Number
- 0000600146
Structure Descriptors
InChI
InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3InChIKey
TZMFJUDUGYTVRY-UHFFFAOYSA-NSmiles
CCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 2500mg/kg (2500mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 699, 1979. | |
| rat | LD50 | oral | 3gm/kg (3000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 699, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Boiling Point | 108 | deg C | EXP | |
| log P (octanol-water) | -0.850 | (none) | EST | |
| Water Solubility | 6.67E+04 | mg/L | 15 | EXP |
| Atmospheric OH Rate Constant | 1.33E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.