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Propanoic acid,2-hydroxy-, 1-methylethyl ester

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Name

Propanoic acid,2-hydroxy-, 1-methylethyl ester

EINECS 210-518-0
CAS No. 617-51-6 Density 1.021 g/cm3
PSA 46.53000 LogP 0.31880
Solubility N/A Melting Point N/A
Formula C6H12O3 Boiling Point 165.6 °C at 760 mmHg
Molecular Weight 132.159 Flash Point 57.2 °C
Transport Information N/A Appearance N/A
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 617-51-6 (ISOPROPYL (S)-(-)-LACTATE) Hazard Symbols N/A
Synonyms

Lacticacid, isopropyl ester (6CI,7CI,8CI);DL-Isopropyl lactate;IsopropylDL-lactate;Isopropyl lactate;Purasolv IPL;

Article Data 23

Propanoic acid,2-hydroxy-, 1-methylethyl ester Synthetic route

2-(tert-butyl-dimethyl-silanyloxy)-propionic acid isopropyl ester

617-51-6

isopropyl lactate

Conditions
ConditionsYield
With potassium hydrogensulfate In methanol at 20℃; for 3h;97%
62147-49-3

1,3-dihydroxyacetone dimer

67-63-0

isopropyl alcohol

617-51-6

isopropyl lactate

Conditions
ConditionsYield
at 85℃; for 8h;48.8%
67-63-0

isopropyl alcohol

57-50-1

Sucrose

A

617-51-6

isopropyl lactate

B

112025-99-7

2-hydroxy-3-butensaeure-isopropylester

Conditions
ConditionsYield
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%
849585-22-4

LACTIC ACID

67-63-0

isopropyl alcohol

617-51-6

isopropyl lactate

Conditions
ConditionsYield
at 170℃;
With sulfuric acid; benzene
With hydrogenchloride Reflux;
617-57-2

2-(2-hydroxy-1-oxopropoxy)propionic acid

67-63-0

isopropyl alcohol

617-51-6

isopropyl lactate

Conditions
ConditionsYield
at 160 - 170℃;
312-85-6

sodium lactate

67-63-0

isopropyl alcohol

617-51-6

isopropyl lactate

Conditions
ConditionsYield
With sulfuric acid
814-80-2

calcium lactate

67-63-0

isopropyl alcohol

617-51-6

isopropyl lactate

Conditions
ConditionsYield
With sulfuric acid
97-64-3, 2676-33-7

ethyl 2-hydroxypropionate

67-63-0

isopropyl alcohol

617-51-6

isopropyl lactate

Conditions
ConditionsYield
aluminium(III) triflate at 90 - 105℃; under 37.5038 - 7500.75 Torr; for 6.5h; Conversion of starting material;
75-30-9

2-iodo-propane

silver lactate

silver lactate

A

617-51-6

isopropyl lactate

B

79885-46-4

2-isopropoxypropanoic acid

Conditions
ConditionsYield
wird mit waessr.-alkoholischem Bariumhydroxyd verseift;
96-26-4

dihydroxyacetone

67-63-0

isopropyl alcohol

A

59044-05-2

α,α-di(isopropoxy)acetone

B

617-51-6

isopropyl lactate

Conditions
ConditionsYield
With Zeolite USY CBV 600 at 109.84℃; for 4h; Autoclave;A 16 %Chromat.
B 83 %Chromat.

Propanoic acid,2-hydroxy-, 1-methylethyl ester Specification

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%.

Propanoic acid,2-hydroxy-, 1-methylethyl ester can be used to produce pyruvic acid isopropyl ester

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.

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