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Zearalenone

Zearalenone structure

CAS No:
17924-92-4
Formula:
C18H22O5
Chemical Name:
Zearalenone
Synonyms:
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-,(3S,11E)-;1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-,(S)-(-)-;Zearalenone;1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-,[S-(E)]-;(3S,11E)-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione;(-)-Zearalenone;trans-Zearalenone;Mycotoxin F 2;6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-β-resorcylic acid lactone;(S)-Zearalenone;Toxin F2;(10S)-Zearalenone;Zenone;(S)-(-)-Zearalenone;18695-28-8
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Crystalline SolidChEBI: A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.White microcrystals or white powder.

Zearalenone Basic Attributes

Molecular Weight：

318.36

Exact Mass：

318.36

EC Number：

241-864-0

HScode：

29322090

Characteristics

PSA：

83.8

XLogP3：

3.6

Appearance：

Crystalline Solid

Density：

1.1270 (rough estimate)

Melting Point：

164.5 °C

Boiling Point：

377.53°C (rough estimate)

Flash Point：

6 °C

Refractive Index：

1.6120 (estimate)

Water Solubility：

less than 0.1 mg/mL at 64° F (NTP, 1992)

Storage Conditions：

−20°C

Vapor Pressure：

0 mm Hg at 68° F (NTP, 1992)

Toxicity：

Abdominal cavity-rat LD50: 4 mg/kg; abdominal cavity-mouse LD50: 5 mg/kg

Flammability characteristics：

Flammable, spicy and irritating smoke emitted from the fire

Specific rotation：

25546 -170.5° (c = 1.0 in CH3OH)

Safety Information

Packing level：

II; III

Hazard category：

4.1

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

34-62-63-36-20/21/22-11

safety instructions：

26-36/37/39-45-36-16-36/37

RTECS Number：

DM2550000

Marks：

C,Xn,F

Storage features：

Treasury is low temperature, ventilated, dry; stored separately from food raw materials

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302 + H312 + H332-H319

Toxicity

Toxicity class：

most toxic

Zearalenone Use and Manufacturing

Uses

A phytoestrogenic mycotoxin and ER activator

Manufacturing Info：

1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3S,11E)-: INACTIVE

Computed Properties

Molecular Weight:318.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:318.14672380
Monoisotopic Mass:318.14672380
Topological Polar Surface Area:83.8
Heavy Atom Count:23
Complexity:445
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 17924-92-4

Grade: Chemical Grade

Content: 99%

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CAS No.: 17924-92-4

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Guide of Zearalenone

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Recommended Suppliers
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