CAS No.26538-44-3,Zeranol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26538-44-3
Name:	Zeranol
Article Data:	7

Formula:	C₁₈H₂₆O₅
Molecular Weight:	322.401
Synonyms:	1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)-(+)-(8CI);1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, [3S-(3R,7S)]-;Zearalanol (7CI);6-(6,10-Dihydroxyundecyl)-b-resorcylic acid-m-lactone;Frideron;MK 188;Ralabol;Ralgro;Ralone;P 1496;Zeranol;a-Zearalanol;a-Zeranol;
EINECS:	247-769-0
Density:	1.153 g/cm³
Melting Point:	182-184 °C
Boiling Point:	575.978 °C at 760 mmHg
Flash Point:	207.85 °C
Solubility:	Insoluble in water
Appearance:	White fluffy powder
Hazard Symbols:	T
Risk Codes:	60-36/37/38
Safety:	53-36/37/39-45
PSA:	86.99000
LogP:	3.29080

Synthetic route

: 106315-76-8
(3S,7R)-14,16-di-O-benzyl-3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one

: 26538-44-3
zeranol

Conditions

Conditions	Yield
With hydrogen; Ra-Ni catalyst In ethanol under 3040 Torr; for 6h;	86%

: 36455-72-8
α-zearalenol

: 26538-44-3
zeranol

Conditions

Conditions	Yield
With 5 mol% Pd/C; hydrogen In ethanol at 20℃;	79%
With hydrogen; palladium on activated charcoal at 20℃; under 750.075 Torr;

: 17924-92-4
zearalenone

: 26538-44-3
zeranol

Conditions

Conditions	Yield
Stage #1: zearalenone With isopropyl alcohol; aluminum isopropoxide at 75℃; for 24h; Meerwein-Ponndorf-Verley Reduction; Stage #2: With hydrogen; palladium 10% on activated carbon In methanol at 20℃; under 760.051 Torr;	45%
With dipotassium hydrogenphosphate; sodium chloride In N,N-dimethyl-formamide glucose, yeast extract, neopeptone, Aspergillus ochraceous NRRL 405;	20%
Multi-step reaction with 2 steps 1: sodium tetrahydroborate / methanol / 3 h / 0 - 20 °C / Inert atmosphere 2: hydrogen; 5 mol% Pd/C / ethanol / 20 °C View Scheme

: 325142-22-1
(3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one

A: 42422-68-4
taleranol

B: 26538-44-3
zeranol

Conditions

Conditions	Yield
With water at 40℃; for 96h; lipases from pseudomonas species; other lipases; Yield given. Yields of byproduct given;
With water at 40℃; for 96h; lipases from pseudomonas species, other lipases; Yield given. Yields of byproduct given;

: 37786-44-0, 39594-22-4, 39594-23-5
Acetic acid (S)-2,4-dihydroxy-7-methyl-5-oxo-7,8,9,10,11,12,13,14,15,16-decahydro-5H-6-oxa-benzocyclotetradecen-11-yl ester

A: 42422-68-4
taleranol

B: 26538-44-3
zeranol

Conditions

Conditions	Yield
With water at 40℃; for 96h; lipases from pseudomonas fluorescens; other lipases; Yield given. Yields of byproduct given;
With water at 40℃; for 96h; lipases from pseudomonas fluorescens, other lipases; Yield given. Yields of byproduct given;

Raw Materials

17924-92-4

36455-72-8

Total:77 Page 1 of 3 1 2 3 Next>>

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Specification

The Zeranol, with the CAS registry number 26538-44-3, is also known as 6-(6,10-Dihydroxyundecyl)-b-resorcylic acid-m-lactone. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Aromatics; Chiral Reagents. Its EINECS number is 247-769-0. This chemical's molecular formula is C₁₈H₂₆O₅ and molecular weight is 322.40. What's more, its systematic name is (3S,7R)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one. Its classification codes are: (1)Anabolic; (2)Estrogens; (3)Estrogens, non-steroidal; (4)Hormones; (5)Hormones, Hormone Substitutes, and Hormone Antagonists; (6)Mutation data; (7)Reproductive Effect. It is hygroscopic, and its storage temperature is -20°C. This chemical is a non-steroidal estrogen analog. It is used as animal growth promotant, anabolic and controlled substance. Zeranol is approved for use as a growth promoter in livestock, including beef cattle, in the United States. In Canada, it is approved for use in beef cattle only. Its application is not approved for use in the European Union.

Physical properties of Zeranol are: (1)ACD/LogP: 4.648; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 4.51; (5)ACD/BCF (pH 5.5): 1997.61; (6)ACD/BCF (pH 7.4): 1454.38; (7)ACD/KOC (pH 5.5): 8007.92; (8)ACD/KOC (pH 7.4): 5830.24; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 86.99 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 87.119 cm³; (15)Molar Volume: 279.547 cm³; (16)Polarizability: 34.536×10^-24cm³; (17)Surface Tension: 44.51 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 207.85 °C; (20)Enthalpy of Vaporization: 90.738 kJ/mol; (21)Boiling Point: 575.978 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by (3S,7R)-14,16-di-O-benzyl-3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one. This reaction will need reagent H₂ and solvent ethanol with the reaction time of 6 hours. This reaction will also need catalyst Ra-Ni catalyst. The yield is about 86%.

Zeranol can be prepared by (3S,7R)-14,16-di-O-benzyl-3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may impair fertility. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). It should be avoided exposure, and you need to obtain special instructions before use.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@H](CCC[C@H](O)CCCCCc2cc(O)cc(O)c12)C
(2)Std. InChI: InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
(3)Std. InChIKey: DWTTZBARDOXEAM-GXTWGEPZSA-N