Lactulose supplier | CasNO.4618-18-2

Name
Lactulose
EINECS 225-027-7
CAS No. 4618-18-2
Article Data7
CAS DataBase
Density 1.77 g/cm³
Solubility 76.4 G/100 ML (30 ºC)
Melting Point ~169 °C (dec.)
Formula C₁₂H₂₂O₁₁
Boiling Point 680.5 °C at 760 mmHg
Molecular Weight 342.3
Flash Point 365.4 °C
Transport Information
Appearance White powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms MLS-50;Piarle;Enulose;Duphalac;Liforos;Lagnos;Lactulose;Cholac;cephulac;laevolac;Caloryl;
PSA 197.37000
LogP -5.55300

Synthetic route

: 133-99-3, 490-37-9, 2152-98-9, 4482-75-1, 5965-66-2, 13299-27-9, 13360-52-6, 14641-93-1, 15548-43-3, 16462-44-5, 16984-36-4, 16984-38-6, 20869-27-6, 22688-72-8, 27452-49-9, 29276-55-9, 30608-12-9, 34481-13-5, 37169-60-1, 37169-64-5, 64234-01-1, 64234-02-2, 75281-88-8, 80446-85-1, 84413-57-0, 92344-56-4, 93221-87-5, 93301-77-0, 94799-29-8, 100427-98-3, 100428-00-0, 101312-82-7, 102046-24-2, 102046-25-3, 109432-00-0, 109432-02-2, 109432-04-4, 109432-08-8, 135268-49-4, 138231-26-2, 140461-59-2, 145414-22-8, 145414-26-2, 146339-75-5, 146339-76-6, 149116-55-2
Lactose

: 4618-18-2
lactulose

Conditions

Conditions	Yield
With sodium carbonate In water at 120℃; for 0.5h; Temperature; Time;	29.7%

: 63-42-3
D-(+)-lactose

: 4618-18-2
lactulose

Conditions

Conditions	Yield
With calcium hydroxide; water
With β-galactosidase from kluyveromyces lactis; glucose isomerase from streptomyces rubiginosus In aq. phosphate buffer at 53.5℃; for 3h; pH=7.5; Catalytic behavior; Temperature; Concentration; Enzymatic reaction;
With Ca3.4AlO4.9 In water at 89.84℃; under 7500.75 Torr; for 3h; Reagent/catalyst; Time; Autoclave; Inert atmosphere; Green chemistry;

: 5965-66-2
LACTOSE

A: 87-81-0
D-tagatose

B: 50-99-7
D-glucose

C: 59-23-4
D-Galactose

D: 4618-18-2
lactulose

Conditions

Conditions	Yield
With Zeolite Na-X; water at 85℃; for 10h; Product distribution; var. reag.: var. minerals and zeolites; var. pH, isomerization;

...Expand

: 2305-06-8
O4-β-D-galactopyranosyl-1-p-toluidino-1-deoxy-D-fructose

A: 4618-18-2
lactulose

B reagent 4: oxalic acid ; reagent 5: water: reagent 4: oxalic acid ; reagent 5: water

Conditions

Conditions	Yield
With sodium nitrate; Pd-BaSO4; acetic acid Hydrogenation;

: 57-48-7
D-Fructose

: 133-99-3, 490-37-9, 2152-98-9, 4482-75-1, 5965-66-2, 13299-27-9, 13360-52-6, 14641-93-1, 15548-43-3, 16462-44-5, 16984-36-4, 16984-38-6, 20869-27-6, 22688-72-8, 27452-49-9, 29276-55-9, 30608-12-9, 34481-13-5, 37169-60-1, 37169-64-5, 64234-01-1, 64234-02-2, 75281-88-8, 80446-85-1, 84413-57-0, 92344-56-4, 93221-87-5, 93301-77-0, 94799-29-8, 100427-98-3, 100428-00-0, 101312-82-7, 102046-24-2, 102046-25-3, 109432-00-0, 109432-02-2, 109432-04-4, 109432-08-8, 135268-49-4, 138231-26-2, 140461-59-2, 145414-22-8, 145414-26-2, 146339-75-5, 146339-76-6, 149116-55-2
lactose

: 4618-18-2
lactulose

Conditions

Conditions	Yield
With β-galactosidase from Aspergillus oryzae at 40℃; pH=4.5; aq. buffer; Enzymatic reaction;

: 57-48-7
D-Fructose

: 63-42-3
D-(+)-lactose

: 4618-18-2
lactulose

Conditions

Conditions	Yield
With β-galactosidase from Aspergillus oryzae at 40℃; pH=4.5; aq. buffer; Enzymatic reaction;

: 63-42-3
D-(+)-lactose

A: 4618-18-2
lactulose

B: 63-42-3, 69-79-4, 490-36-8, 528-50-7, 6206-28-6, 6918-40-7, 13117-26-5, 14417-51-7, 14722-76-0, 15761-61-2, 19767-49-8, 20237-61-0, 22412-72-2, 28072-80-2, 35337-92-9, 35337-93-0, 35337-94-1, 35337-95-2, 35438-40-5, 50468-56-9, 56907-30-3, 62742-61-4, 64550-93-2, 66101-72-2, 70832-26-7, 70832-27-8, 78215-52-8, 79549-47-6, 98048-93-2, 101313-68-2, 117249-73-7, 117249-77-1, 117249-82-8, 117249-91-9, 117249-95-3, 117250-04-1, 117250-08-5, 117250-13-2, 117250-18-7, 117306-22-6, 117306-31-7, 117306-41-9, 117306-46-4, 117469-06-4, 117469-07-5, 119720-43-3, 119720-46-6, 119720-55-7, 119720-56-8, 119720-58-0
β-D-galactopyranosyl-(1->4)-D-mannose

Conditions

Conditions	Yield
With recombinant cellobiose 2-epimerase from Caldicellulosiruptor saccharolyticus, mutant G4-C5 (R5M/A12S/I52V/F231L/K328I) In aq. buffer at 80℃; for 4h; pH=7.5; Kinetics; Thermodynamic data; Reagent/catalyst; pH-value; Temperature; Enzymatic reaction;

: 98-88-4
benzoyl chloride

: 4618-18-2
lactulose

: octa-benzoyl lactulose

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 16h;	87.2%

: 108-24-7
acetic anhydride

: 4618-18-2
lactulose

: octa-acetyl lactulose

Conditions

Conditions	Yield
With pyridine at 20℃; for 0.15h;	83.2%

: 7493-95-0
4-nitrophenyl α-D-galactoside

: 4618-18-2
lactulose

: α-D-galactopyranosyl-(1->6)-β-D-galactopyranosyl-(1->4)-D-fructofuranose

Conditions

Conditions	Yield
With recombinant Aspergillus nidulans FGSC GH36 α-galactosidase at 37℃; for 3h; pH=5; aq. acetate buffer; Enzymatic reaction; regioselective reaction;	38%

: 57-50-1
Sucrose

: 4618-18-2
lactulose

A: 4955-91-3
β-D-galactopyranosyl-(1→4)-β-D-fructofuranosyl-(2→1)-α-D-glucopyranoside

B: 7158-70-5
leucrose

Conditions

Conditions	Yield
With Leuconostoc mesenteroides B-512F dextransucrase; calcium chloride In aq. acetate buffer at 30℃; for 48h; pH=5.2; Enzymatic reaction;	A 35% B n/a

...Expand

: 71-23-8
propan-1-ol

: 4618-18-2
lactulose

A: propyl β-lactulopyranoside

B: propyl β-lactulofuranoside

C: propyl α-lactulofuranoside

Conditions

Conditions	Yield
MCM-41 for 24h; Heating;	A 6 % Chromat. B 28 % Chromat. C 65 % Chromat.

...Expand

: 64-17-5
ethanol

: 4618-18-2
lactulose

A: ethyl β-lactulopyranoside

B: ethyl β-lactulofuranoside

C: ethyl α-lactulofuranoside

Conditions

Conditions	Yield
MCM-41 for 24h; Heating;	A 3 % Chromat. B 36 % Chromat. C 41 % Chromat.

...Expand

: 4618-18-2
lactulose

: 71-36-3
butan-1-ol

A: butyl β-lactulopyranoside

B: butyl β-lactulofuranoside

C: butyl α-lactulofuranoside

Conditions

Conditions	Yield
MCM-41 for 24h; Heating;	A 9 % Chromat. B 24 % Chromat. C 65 % Chromat.

...Expand

: 4618-18-2
lactulose

A: β-D-galactopyranosyl-(1-6)-β-D-galactopyranosyl-(1-4)-α-D-fructofuranose

B: β-D-galactopyranosyl-(1-6)-β-D-galactopyranosyl-(1-4)-β-D-fructofuranose

C: 1006038-55-6
β-D-galactopyranosyl-(1-6)-β-D-galactopyranosyl-(1-4)-β-D-fructopyranose

D: β-D-galactopyranosyl-(1-4)-α-D-fructofuranosyl-(1-1)-β-D-galactopyranose

E: β-D-galactopyranosyl-(1-4)-β-D-fructofuranosyl-(1-1)-β-D-galactopyranose

F: 1006064-99-8
β-D-galactopyranosyl-(1-4)-β-D-fructopyranosyl-(1-1)-β-D-galactopyranose

Conditions

Conditions	Yield
With β-galactosidase from Kluyveromyces lactis; magnesium chloride at 50℃; for 6h; pH=6.5; aq. potassium phosphate buffer; Enzymatic reaction;

...Expand

: 4618-18-2
lactulose

A: 57-48-7
D-Fructose

B: 10257-28-0
D-Galactose

C: 902-54-5
6-O-β-D-galactopyranosyl-D-galactose

Conditions

Conditions	Yield
With glyoxyl agarose immobilized β-galactosidase from Lactobacillus plantarum In aq. buffer at 25℃; pH=5; pH-value;

...Expand

: 4618-18-2
lactulose

: 74-88-4
methyl iodide

: C20H38O11

Conditions

Conditions	Yield
Stage #1: lactulose With sodium hydride In dimethyl sulfoxide at 20℃; Inert atmosphere; Stage #2: methyl iodide In dimethyl sulfoxide for 15h; Inert atmosphere;

: 140850-44-8
N-acetylneuraminic acid

: 4618-18-2
lactulose

: C23H39NO19

Conditions

Conditions	Yield
With Sodium tripolyphosphate; sialyltransferase; sodium hydroxide; magnesium chloride In water at 37℃; for 20h; pH=8.5; Time; Enzymatic reaction;

: 4618-18-2
lactulose

CMP-sialyltransferase: CMP-sialyltransferase

: α-2,3-hydroxyacetyl sialyl lactulose

Conditions

Conditions	Yield
With hydrogenchloride; N-hydroxyacetylmannose; cytosine triphosphate; sodium pyruvate; magnesium chloride; aldolase In water at 37℃; pH=8.5; Enzymatic reaction;

: 4618-18-2
lactulose

A: β-D-Galp-(1→6)-β-D-Galp-(1→4)-D-Fru

B: β-D-Galp-(1→6)[β-D-Galp-(1→4)]-D-Fru

C: β-D-Galp-(1→4)[β-D-Galp-(1→1)]-D-Fru

D: β-D-Galp-(1→4)-β-D-Galp-(1→4)-D-Fru

E: β-D-Galp-(1→3)-β-D-Galp-(1→4)-D-Fru

F: β-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-Galp-(1→4)-D-Fru

G: β-D-Galp-(1→3)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-D-Fru

H: β-D-Galp-(1→4)-β-D-Galp-(1→3)-β-D-Galp-(1→4)-D-Fru

I: β-D-Galp-(1→5)[β-D-Galp-(1→4)]-D-Frup

Conditions

Conditions	Yield
With wild type beta-galactosidase from bacillus circulans ATCC 31382 mutant R484H at 50℃; for 20h; Concentration; Temperature; Enzymatic reaction;

...Expand

: 4618-18-2
lactulose

A: β-D-Galp-(1→6)-β-D-Galp-(1→4)-D-Fru

B: β-D-Galp-(1→6)[β-D-Galp-(1→4)]-D-Fru

C: β-D-Galp-(1→4)[β-D-Galp-(1→1)]-D-Fru

D: β-D-Galp-(1→4)-β-D-Galp-(1→4)-D-Fru

E: β-D-Galp-(1→3)-β-D-Galp-(1→4)-D-Fru

F: β-D-Galp-(1→5)[β-D-Galp-(1→4)]-D-Frup

Conditions

Conditions	Yield
With wild type beta-galactosidase from bacillus circulans ATCC 31382 mutant R484H at 50℃; for 20h; Enzymatic reaction;

...Expand

Lactulose Specification

This chemical is called Lactulose, and its CAS registry number is 4618-18-2. With the molecular formula of C₁₂H₂₂O₁₁, its product categories are Sugars, Carbohydrates & Glucosides; Basic Sugars (Mono & Oligosaccharides); Biochemistry; Disaccharides. In addition, this chemical should be sealed in the cool and dry place.

Physical properties about Lactulose are: (1)ACD/LogP: -2.885; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.88; (4)ACD/LogD (pH 7.4): -2.88; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 70.859 cm³; (14)Molar Volume: 192.83 cm³; (15)Polarizability: 28.091 10-24cm³; (16)Surface Tension: 113.033996582031 dyne/cm; (17)Density: 1.775 g/cm³; (18)Flash Point: 365.377 °C; (19)Enthalpy of Vaporization: 114.233 kJ/mol; (20)Boiling Point: 680.539 °C at 760 mmHg

Preparation and Uses: Lactulose could be obtained by the Lactose under the action of alkali isomerization. It promotes the proliferation of intestinal bifidobacteria, and it's conducive to good health.

You can still convert the following datas into molecular structure:
1.SMILES: O[C@H]2[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)OC2(O)CO;
2.InChI: InChI=1/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12?/m1/s1;
3.InChIKey: JCQLYHFGKNRPGE-DNMRROERBC;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 12gm/kg (12000mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
mouse	LD50	intraperitoneal	15800mg/kg (15800mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
mouse	LD50	intravenous	9960mg/kg (9960mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
mouse	LD50	oral	31gm/kg (31000mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
mouse	LD50	oral	31gm/kg (31000mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
mouse	LD50	subcutaneous	29600mg/kg (29600mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
rabbit	LDLo	oral	24gm/kg (24000mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: MUSCLE WEAKNESS	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
rat	LD50	intraperitoneal	16gm/kg (16000mg/kg)		Bollettino Chimico Farmaceutico. Vol. 115, Pg. 596, 1976.
rat	LD50	intravenous	13500mg/kg (13500mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
rat	LD50	intravenous	13500mg/kg (13500mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
rat	LD50	oral	18160mg/kg (18160mg/kg)		Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 96, Pg. 301, 1990.
rat	LD50	subcutaneous	33500mg/kg (33500mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 3517, 1973.
women	TDLo	unreported	40mg/kg/3D (40mg/kg)		Drug Intelligence and Clinical Pharmacy. Vol. 18, Pg. 70, 1984.

Product Name

Lactulose

Synthetic route

Lactulose Specification

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