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

Name
ISOPROPYL (S)-(-)-LACTATE
EINECS 210-518-0
CAS No. 617-51-6
Article Data23
CAS DataBase
Density 1.021 g/cm³
Solubility
Melting Point
Formula C₆H₁₂O₃
Boiling Point 165.6 °C at 760 mmHg
Molecular Weight 132.159
Flash Point 57.2 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lacticacid, isopropyl ester (6CI,7CI,8CI);DL-Isopropyl lactate;IsopropylDL-lactate;Isopropyl lactate;Purasolv IPL;
PSA 46.53000
LogP 0.31880

Synthetic route

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

: 617-51-6
isopropyl lactate

Conditions

Conditions	Yield
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

Conditions	Yield
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

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%

...Expand

: 849585-22-4
LACTIC ACID

: 67-63-0
isopropyl alcohol

: 617-51-6
isopropyl lactate

Conditions

Conditions	Yield
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

Conditions	Yield
at 160 - 170℃;

: 312-85-6
sodium lactate

: 67-63-0
isopropyl alcohol

: 617-51-6
isopropyl lactate

Conditions

Conditions	Yield
With sulfuric acid

: 814-80-2
calcium lactate

: 67-63-0
isopropyl alcohol

: 617-51-6
isopropyl lactate

Conditions

Conditions	Yield
With sulfuric acid

: 97-64-3, 2676-33-7
ethyl 2-hydroxypropionate

: 67-63-0
isopropyl alcohol

: 617-51-6
isopropyl lactate

Conditions

Conditions	Yield
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

Conditions	Yield
wird mit waessr.-alkoholischem Bariumhydroxyd verseift;

...Expand

: 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

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

...Expand

: 50-99-7, 59-23-4, 921-60-8, 1949-88-8, 1990-29-0, 2152-76-3, 2595-97-3, 2595-98-4, 3458-28-4, 4205-23-6, 5934-56-5, 5978-95-0, 5987-68-8, 6027-89-0, 6038-51-3, 7635-11-2, 10030-80-5, 15572-79-9, 19163-87-2, 23567-25-1, 26566-61-0, 30077-17-9, 31103-86-3, 39665-52-6, 40866-07-7, 58367-01-4, 58407-05-9, 58407-06-0, 83198-69-0, 83198-70-3, 83198-71-4, 93780-23-5, 145920-48-5
2,3,4,5,6-pentahydroxy-hexanal

: 67-63-0
isopropyl alcohol

: 617-51-6
isopropyl lactate

Conditions

Conditions	Yield
With bi-functional magnesium silicate with MTW zeolite frameworks containing 3.58 wt% Mg at 159.84℃; under 3750.38 Torr; Inert atmosphere;	36.6 %Chromat.

: 617-51-6
isopropyl lactate

: 923-11-5
isopropyl pyruvate

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) nitrate; hydroxylamine hydrochloride; copper(II) nitrate; sodium hydroxide at 50℃; under 760.051 Torr; for 6h; Molecular sieve; Green chemistry;	95.6%
With hydrogenchloride; sodium hypobromide In dichloromethane; water at 25℃; for 5h;	92%
With potassium permanganate; sulfuric acid
With dihydrogen peroxide In dichloromethane; water at 25℃; for 24h; Reflux;

: 617-51-6
isopropyl lactate

: 73818-55-0, 15596-07-3
Bestmann ylide

: 4-Isopropoxy-5-methyl-5H-furan-2-one

Conditions

Conditions	Yield
In toluene for 12h; Heating;	90%

: 617-51-6
isopropyl lactate

: 637-78-5
isopropyl propionate

Conditions

Conditions	Yield
With hydrogen In ethanol at 220℃; under 37503.8 Torr; for 12h; Catalytic behavior;	71%
With hydrogen at 220℃; under 37503.8 Torr; for 12h;	71%

: 617-51-6
isopropyl lactate

: C31H26F2N2O3S

: 1498-51-7
ethyl phosphodichloridite

: C32H35F2N2O8PS

Conditions

Conditions	Yield
Stage #1: isopropyl lactate; ethyl phosphodichloridite With triethylamine In dichloromethane at 0℃; for 2h; Inert atmosphere; Stage #2: C31H26F2N2O3S In dichloromethane at 20℃;	30%

...Expand

: 75-30-9
2-iodo-propane

: 617-51-6
isopropyl lactate

: 91367-78-1
2-isopropoxy-propionic acid isopropyl ester

Conditions

Conditions	Yield
With sodium

: 463-51-4
Ketene

: 617-51-6
isopropyl lactate

: 4055-08-7
isopropyl 2-acetoxypropanoate

Conditions

Conditions	Yield
With sulfuric acid

: 617-51-6
isopropyl lactate

: 106-75-2
diethylene glycol bischloroformate

: 5349-69-9
diethylene glycol-O.O-dicarboxylic acid bis-(1-carboisopropyloxy-ethyl ester)

Conditions

Conditions	Yield
With pyridine; diethyl ether at 0℃;

: 617-51-6
isopropyl lactate

: 57-55-6
propylene glycol

Conditions

Conditions	Yield
With nickel; triethylamine at 100℃; Hydrogenation;

: 617-51-6
isopropyl lactate

: 108-24-7
acetic anhydride

: 4055-08-7
isopropyl 2-acetoxypropanoate

Conditions

Conditions	Yield
With sulfuric acid
With dmap In dichloromethane

: 617-51-6
isopropyl lactate

: 64-19-7
acetic acid

A: 4055-08-7
isopropyl 2-acetoxypropanoate

B: 535-17-1
2-acetoxypropionic acid

Conditions

Conditions	Yield
With sulfuric acid; benzene

...Expand

: 617-51-6
isopropyl lactate

: 814-68-6
acryloyl chloride

: 92173-19-8
O-acryloyl-lactic acid isopropyl ester

Conditions

Conditions	Yield
With sodium carbonate; copper(l) chloride Erhitzen des Reaktionsgemisches auf 80-100grad;

: 617-51-6
isopropyl lactate

: 2719-27-9
cyclohexanylcarbonyl chloride

: 4055-09-8
Isopropyl-lactat-cyclohexylcarboxylat

: 617-51-6
isopropyl lactate

: 882-06-4
4-nitro-trans-cinnamic acid

: (E)-3-(4-Nitro-phenyl)-acrylic acid 1-isopropoxycarbonyl-ethyl ester

: 617-51-6
isopropyl lactate

: 71-36-3
butan-1-ol

: 138-22-7
n-butyl lactate

Conditions

Conditions	Yield
aluminium(III) triflate at 125 - 145℃; under 37.5038 - 7500.75 Torr; Conversion of starting material;

: 100-26-5
Pyridine-2,5-dicarboxylic acid

: 617-51-6
isopropyl lactate

: 117517-40-5
Bis(1-isopropoxycarbonylethyl) pyridine-2,5-dicarboxylate

Conditions

Conditions	Yield
With thionyl chloride In N-methyl-acetamide; dichloromethane; di-isopropyl ether; toluene

: 499-80-9
pyridine-2,4-dicarboxylic acid

: 617-51-6
isopropyl lactate

: Bis(1-isopropoxycarbonylethyl) pyridine-2,4-dicarboxylate

Conditions

Conditions	Yield
With thionyl chloride In N-methyl-acetamide; dichloromethane; di-isopropyl ether; toluene

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.

Product Name

ISOPROPYL (S)-(-)-LACTATE

Synthetic route

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

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