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CAS No.: | 617-51-6 |
---|---|
Name: | ISOPROPYL (S)-(-)-LACTATE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C6H12O3 |
Molecular Weight: | 132.159 |
Synonyms: | Lacticacid, isopropyl ester (6CI,7CI,8CI);DL-Isopropyl lactate;IsopropylDL-lactate;Isopropyl lactate;Purasolv IPL; |
EINECS: | 210-518-0 |
Density: | 1.021 g/cm3 |
Boiling Point: | 165.6 °C at 760 mmHg |
Flash Point: | 57.2 °C |
Safety: | 23-24/25 |
PSA: | 46.53000 |
LogP: | 0.31880 |
isopropyl lactate
Conditions | Yield |
---|---|
With potassium hydrogensulfate In methanol at 20℃; for 3h; | 97% |
Conditions | Yield |
---|---|
at 85℃; for 8h; | 48.8% |
isopropyl alcohol
Sucrose
A
isopropyl lactate
B
2-hydroxy-3-butensaeure-isopropylester
Conditions | Yield |
---|---|
Sn-BEA at 160℃; under 15001.5 Torr; Inert atmosphere of argon; | A 26% B 12% |
Sn-BEA at 160℃; for 20h; Inert atmosphere; autoclave; | A 26% B 12% |
Conditions | Yield |
---|---|
at 170℃; | |
With sulfuric acid; benzene | |
With hydrogenchloride Reflux; |
Conditions | Yield |
---|---|
at 160 - 170℃; |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
aluminium(III) triflate at 90 - 105℃; under 37.5038 - 7500.75 Torr; for 6.5h; Conversion of starting material; |
Conditions | Yield |
---|---|
wird mit waessr.-alkoholischem Bariumhydroxyd verseift; |
dihydroxyacetone
isopropyl alcohol
A
α,α-di(isopropoxy)acetone
B
isopropyl lactate
Conditions | Yield |
---|---|
With Zeolite USY CBV 600 at 109.84℃; for 4h; Autoclave; | A 16 %Chromat. B 83 %Chromat. |
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The CAS registry number of Propanoic acid,2-hydroxy-, 1-methylethyl ester is 617-51-6. This chemical is also named as (S)-Isopropyl lactate. Its EINECS registry number is 210-518-0. In addition, its molecular formula is C6H12O3 and molecular weight is 132.1577. Its systematic name and IUPAC name are the same which is called propan-2-yl 2-hydroxypropanoate. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties about Propanoic acid,2-hydroxy-, 1-methylethyl ester are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.1; (8)ACD/KOC (pH 7.4): 29.1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 33.07 cm3; (14)Molar Volume: 129.3 cm3; (15)Surface Tension: 31.8 dyne/cm; (16)Density: 1.021 g/cm3; (17)Flash Point: 57.2 °C; (18)Enthalpy of Vaporization: 46.82 kJ/mol; (19)Boiling Point: 165.6 °C at 760 mmHg; (20)Vapour Pressure: 0.622 mmHg at 25°C.
Uses of Propanoic acid,2-hydroxy-, 1-methylethyl ester: it can be used to produce pyruvic acid isopropyl ester at temperature of 25 °C. It will need reagents NaOBr, HCl and solvents CH2Cl2, H2O with reaction time of 5 hours. The yield is about 92%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)C)C(O)C
(2)InChI: InChI=1/C6H12O3/c1-4(2)9-6(8)5(3)7/h4-5,7H,1-3H3
(3)InChIKey: KIWATKANDHUUOB-UHFFFAOYAW
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | intramuscular | 2500mg/kg (2500mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942. |