Products Categories
| CAS No.: | 591-64-0 |
|---|---|
| Name: | Calcium levulinate |
| Molecular Structure: | |
|
|
|
| Formula: | C10H14CaO6 |
| Molecular Weight: | 270.29 |
| Synonyms: | Levulinicacid, calcium salt (8CI);Pentanoic acid, 4-oxo-, calcium salt (9CI);4-Oxopentanoic acid calcium salt;Calcium Pharmacon;Calcium-Diasporal;Flanthin;Laevucalcin;Levucal;Levulin calcio;Mil-u-cal; |
| EINECS: | 209-725-9 |
| Melting Point: | 123 °C |
| Boiling Point: | 242.9 °C at 760 mmHg |
| Flash Point: | 115 °C |
| Solubility: | almost transparency |
| Appearance: | white powder |
| PSA: | 114.40000 |
| LogP: | -1.78900 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
What can I do for you?
Get Best Price
Specification
The Calcium levulinate, with the CAS registry number of 591-64-0, is also known as Laevucalcin. It belongs to the product categories of Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds. Its EINECS registry number is 209-725-9. This chemical's molecular formula is C10H14CaO6 and molecular weight is 270.29. What's more, its IUPAC name is Calcium 4-oxopentanoate. This chemical's classification code is Drug / Therapeutic Agent. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, Calcium levulinate can be produced by furfuryl alcohol through rearrangement, hydrolysis, and salify. And it can be used as nutrition medicine for acalcicosis.
Physical properties about Calcium levulinate are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -3.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.06; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.37 Å2; (13)Flash Point: 115 °C; (14)Enthalpy of Vaporization: 52.85 kJ/mol; (15)Boiling Point: 242.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0109 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [Ca+2].O=C([O-])CCC(=O)C.[O-]C(=O)CCC(=O)C
(2) InChI: InChI=1/2C5H8O3.Ca/c2*1-4(6)2-3-5(7)8;/h2*2-3H2,1H3,(H,7,8);/q;;+2/p-2
(3) InChIKey: APKDPOQXVKRLEP-NUQVWONBAT
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 7250mg/kg (7250mg/kg) | Farmaco, Edizione Pratica. Vol. 26, Pg. 144, 1971. | |
| rat | LD50 | oral | 6140mg/kg (6140mg/kg) | Farmaco, Edizione Pratica. Vol. 26, Pg. 144, 1971. |