|
|
|
Substance Name: Levulinic acid
RN: 123-76-2
UNII: RYX5QG61EI
InChIKey: JOOXCMJARBKPKM-UHFFFAOYSA-N
Note
- Inhibits 5-aminolevulinic acid dehydratase.
Classification Codes
- Enzyme Inhibitors
- Skin / Eye Irritant
Molecular Formula
- C5-H8-O3
Molecular Weight
- 116.1152
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- 4-Oxopentanoic acid
- Levulinic acid
- Pentanoic acid, 4-oxo
Synonyms
- 3-Acetylpropionic acid
- 3-Acetylpropionsaeure
- 3-Ketobutane-1-carboxylic acid
- 4-03-00-01560 (Beilstein Handbook Reference)
- 4-Ketovaleric acid
- 4-Oxopentanoic acid
- 4-Oxopentansaeure
- 4-Oxovaleric acid
- Acetopropionic acid
- Acidum laevulinicum
- AI3-03377
- beta-Acetylpropionic acid
- BRN 0506796
- EINECS 204-649-2
- FEMA No. 2627
- gamma-Ketovaleric acid
- Laevulic acid
- Laevulinic acid
- LEVA
- Levulic acid
- Levulinic acid
- Levulinsaeure
- NSC 3716
- Pentanoic acid, 4-oxo-
- Propionic acid, 3-acetyl-
- UNII-RYX5QG61EI
- USAF CZ-1
- Valeric acid, 4-oxo-
Systematic Names
- 4-Oxovaleric acid
- Levulinic acid
- Pentanoic acid, 4-oxo-
Superlist Name
- Levulinic acid
Registry Numbers
CAS Registry Number
- 123-76-2
FDA UNII
- RYX5QG61EI
Related Registry Numbers
- 19856-23-6 (hydrochloride salt)
- 591-64-0 (calcium salt)
System Generated Number
- 0000123762
Structure Descriptors
InChI
1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)InChIKey
JOOXCMJARBKPKM-UHFFFAOYSA-NSmiles
C(CCC(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 450mg/kg (450mg/kg) | National Technical Information Service. Vol. AD607-952, | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 847, 1979. | |
| rat | LD50 | oral | 1850mg/kg (1850mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 847, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 33 | deg C | EXP | |
| Boiling Point | 245.5 | deg C | EXP | |
| pKa Dissociation Constant | 4.64 | (none) | 18 | EXP |
| log P (octanol-water) | -0.49 | (none) | EXP | |
| Water Solubility | 6.75E+05 | mg/L | 25 | EST |
| Henry's Law Constant | 4.89E-10 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 4.22E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.