CAS No.4618-18-2,Lactulose Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4618-18-2
Name:	Lactulose
Article Data:	7

Formula:	C₁₂H₂₂O₁₁
Molecular Weight:	342.3
Synonyms:	MLS-50;Piarle;Enulose;Duphalac;Liforos;Lagnos;Lactulose;Cholac;cephulac;laevolac;Caloryl;
EINECS:	225-027-7
Density:	1.77 g/cm³
Melting Point:	~169 °C (dec.)
Boiling Point:	680.5 °C at 760 mmHg
Flash Point:	365.4 °C
Solubility:	76.4 G/100 ML (30 ºC)
Appearance:	White powder
Safety:	24/25
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%

Raw Materials

133-99-3

57-48-7

63-42-3

Total:150 Page 1 of 4 1 2 3 4 Next>>

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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.

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