CAS Number123-76-2
Synonyms4-Oxopentanoic acid; Levulinic acid; Levulic acid; 4-oxovaleric acid; LAEVULINIC ACID; antithermin; b-Acetylpropionic Acid; 4-Oxopentanoic acid,4-Oxovaleric acid; 3-Acetylpropionic Acid; g-Ketovaleric acid; laevulic acid; MFCD00002796; EINECS 204-649-2
Molecular FormulaCH3COCH2CH2COOH
Molecular Weight116.12
Purity98%
Density1.1±0.1 g/cm3
Boiling Point245-246 °C (lit.)
Melting Point30-33 °C (lit.)
AppearanceTransparent light yellow liquid after melting point
EINECS204-649-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 123-76-2 |
| Catalog No. | 2A-9013609 |
| Chinese Name | 乙酰丙酸 |
| Synonyms | 4-Oxopentanoic acid; Levulinic acid; Levulic acid; 4-oxovaleric acid; LAEVULINIC ACID; antithermin; b-Acetylpropionic Acid; 4-Oxopentanoic acid,4-Oxovaleric acid; 3-Acetylpropionic Acid; g-Ketovaleric acid; laevulic acid; MFCD00002796; EINECS 204-649-2 |
| Molecular Formula | CH3COCH2CH2COOH |
| Molecular Weight | 116.12 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 245-246 °C (lit.) |
| Melting Point | 30-33 °C (lit.) |
| Appearance | Transparent light yellow liquid after melting point |
| Storage Condition | Packed in plastic barrels and reinforced with wood |
| Packaging | III |
| Application | Levulinic acid is a precursor to synthetic biofuels such as ethyl levulinate. |
| EINECS | 204-649-2 |
| HTC | 2915509000 |
| PubChem ID | 24896298 |
| MDL Number | MFCD00002796 |
| SMILES | CC(=O)CCC(O)=O |
| InChI | 1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Beilstein/REAXYS | 506796 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 8 |
| MSDS | msds/13609_1_123_76_2.pdf |
| Bioactivity | Levulinic acid is a precursor for the synthesis of biofuels, such as ethyl levulinate. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Target Human Endogenous Metabolite References [1]. Pileidis FD, et al. Levulinic Acid Biorefineries: New Challenges for Efficient Utilization of Biomass. ChemSusChem. 2016 Mar 21;9(6):562-82. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 242.9±13.0 °C at 760 mmHg Melting Point 30-33 °C(lit.) Molecular Formula C5H8O3 Molecular Weight 116.115 Flash Point 137.8±0.0 °C Exact Mass 116.047340 PSA 54.37000 LogP -0.49 Vapour Pressure 0.0±1.0 mmHg at 25°C Index of Refraction 1.435 InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N SMILES CC(=O)CCC(=O)O |
| Use of | Levulinic acid is a precursor for the synthesis of biofuels, such as ethyl levulinate. Properties Articles51 Name 4-oxopentanoic acid Synonym More Synonyms Levulinic acid Biological Activity Description Levulinic acid is a precursor for the synthesis of biofuels, such as ethyl levulinate. Related Catalog Natural Products >> Acids and Aldehydes Research Areas >> Others Human Endogenous Metabolite References [1]. Pileidis FD, et al. Levulinic Acid Biorefineries: New Challenges for Efficient Utilization of Biomass. ChemSusChem. 2016 Mar 21;9(6):562-82. Chemical & Physical Properties Molecular Formula C5H8O3 Exact Mass 116.047340 PSA 54.37000 LogP -0.49 Index of Refraction 1.435 InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N SMILES CC(=O)CCC(=O)O |
| Tax Rebate | 9.0% |
| Supervision | A. Customs clearance form for inbound goods B. Customs clearance form for outbound goods |
| Inspection | R. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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