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| CAS No.: | 4857-44-7 |
|---|---|
| Name: | Calcium bis(2-hydroxy-4-(methylthio)butyrate) |
| Molecular Structure: | |
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| Formula: | C10H18CaO6S2 |
| Molecular Weight: | 338.45 |
| Synonyms: | CalciumDL-2-hydroxy-4-methylthiobutyrate;Calcium DL-a-hydroxy-g-methylthiobutyrate;Calcium a-hydroxy-g-methylmercaptobutyrate;DL-Methioninehydroxyanalog calcium;Hydan (methionine hydroxy analog);MHA;Methionine hydroxy analog-calcium;NSC 1230; |
| EINECS: | 225-455-4 |
| Boiling Point: | 316.5 °C at 760 mmHg |
| Flash Point: | 145.2 °C |
| Safety: | 22-24/25 |
| PSA: | 143.66000 |
| LogP: | 0.21580 |
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Specification
The Calcium bis(2-hydroxy-4-(methylthio)butyrate) is an organic compound with the formula C10H18CaO6S2. The systematic name of this chemical is calcium bis[2-hydroxy-4-(methylsulfanyl)butanoate]. With the CAS registry number 4857-44-7, it is also named as 2-Hydroxy-4-(methylthio)butyric acid calcium salt. The product's categories are Ca (Calcium) Compounds; Classes of Metal Compounds; Typical Metal Compounds. Besides, it is a feed nutrition enhancer, which should be stored in a dark cool and dry place.
Physical properties about Calcium bis(2-hydroxy-4-(methylthio)butyrate) are: (1)ACD/LogP: 0.35; (2)ACD/LogD (pH 5.5): -1.93; (3)ACD/LogD (pH 7.4): -3.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 71.83 Å2; (12)Flash Point: 145.2 °C; (13)Enthalpy of Vaporization: 64.67 kJ/mol; (14)Boiling Point: 316.5 °C at 760 mmHg; (15)Vapour Pressure: 3.45E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
When you are using it, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)C(O)CCSC.[O-]C(=O)C(O)CCSC
(2)InChI: InChI=1/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
(3)InChIKey: ABRVDWASZFDIEH-NUQVWONBAT
(4)Std. InChI: InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
(5)Std. InChIKey: ABRVDWASZFDIEH-UHFFFAOYSA-L
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 12870mg/kg (12870mg/kg) | Toxicology Letters. Vol. 31(Suppl), Pg. 54, 1986. |