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Home> Hot Product Listed Z   > zearalenone
17924-92-4 structure

zearalenone

Iupac Name:(2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione
CAS No.:17924-92-4
EINECS(EC#): 241-864-0
Molecular Weight:318.369
Molecular Formula:C18H22O5 (isomer)
Names and Identifiers
Synonyms

(-)-(3s,11e)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1, 7(8h)-dione (-)-(3s,11e)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione (-)-zearalenone (10s)-zearalenone (2e,11s)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione (3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione (3s,11e)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione (E)-(S)-2,4-DIHYDROXY-7-METHYL-7,8,9,10,13,14-HEXAHYDRO-12H-6-OXA-BENZOCYCLOTETRADECENE-5,11-DIONE (e)-3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-7-oxo-1h-2-benzoxacyclotetradecin-1-one (e)--methyl-7-oxo (s-(e))-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione (s)-(- )-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione (s)-(-)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione (s)-(-)-zearalenone (s)-zear alenone (s)-zearalenone (s,e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-benzo[c][1]oxacyclotetradecine-1,7(8h)-dione [s-(e)]-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione [s-(e)]-xy-3-methyl 16-dihydroxy-3-methyl-7-oxo-1trans-benzoxacyclotetradec-11-en-1-on 1h-2-benzoxacyclotetradecin-1,7(8h)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3s)- 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-(e))- 1h-2-benzoxacyclotetradecin-1,7(8h)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (s)-(-)- 1h-2-benzoxacyclotetradecin-1,7(8h)-dione,3,4,5,6,9,10-hexahydro-14,16-dihydro 1h-2-benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-7-oxo-, (e)- 1h-2-benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3 2beta-methyl-15,17-dihydroxy-12,13-butano-1-oxacyclotetradecane-10,15(13),16,18(12)-tetraene-6,14-dione 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2- benzoxacyclotetradecin-1,7(8h)-dione 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)dione 3,4,5,6,9,10-HEXAHYDRO-14,16-DIHYDROXY-3-METHYL-1H-2-BENZOXACYCLOTETRADECIN-1,7(8H)-DIONE 5W827M159J 6-(10-hydroxy-6-oxo-1-undecenyl)-,mu-lactone,trans-resorcylicaci 6-(10-hydroxy-6-oxo-trans-1-undecenyl)-.beta.-resorcylic acid lactone 6-(10-hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid lactone 6-(10-hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid n-lactone 6-(10-hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylicacidlactone 6-(10-hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylicacid-n-lactone AK326228 AKOS001577898 B7556 BB_NC-0237 BBL010576 bdbm50247676 benzoxacyclotetradec-11-en-1-one, 14,16-dihydroxy-3-methyl-7-oxo-, trans- benzoxacyclotetradecin-1,7(8h)-dione BIDD:ER0058 BRD-K42017082-001-02-6 brn 1350216 BSPBIO_003581 C09981 c18h22o5 CCG-40041 ccris 623 chebi:10106 CHEMBL454173 compound f-2 compound f-2 DTXSID0021460 einecs 241-864-0 EPITOPE ID:146094 f2 toxin f-2 toxin fermentation estrogenic substance hsdb 4208 LMPK04000016 LS-946 MBMQEIFVQACCCH-QBODLPLBSA-N mfcd00133085 MLS000028817 MLS000097901 MLS000888273 MLS001174881 MOLPORT-001-017-582 mycotoxin f2 NCGC00038520-03 NCGC00090809-01 NCGC00090809-02 nci-c50226 ntoxin f2 OPERA_ID_1608 resorcylic acid, 6-(10-hydroxy-6-oxo-1-undecenyl)-, mu-lactone, trans- SCHEMBL33754 SCHEMBL33755 SDCCGMLS-0066858.P001 smr000058177 SPECTRUM1505290 STK033813 toxin f2 trans-14,16-dihydroxy-3-methyl-7-oxobenzoxacyclotetradec-11-en-1-one trans-6-(10-hydroxy-6-oxo-1-undecenyl)resorcylic acid mu-lactone trans-zearalenone zearalenone, fungal mycotoxin zenone ZINC3881412 ZON

Inchi
InChI=1S/C18H22O5/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/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
InChkey
MBMQEIFVQACCCH-QBODLPLBSA-N
Canonical Smiles
CC1CCCC(=O)CCCC=CC2=CC(=CC(=C2C(=O)O1)O)O
Isomers Smiles
C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O
Properties
Appearance
Crystalline Solid
Density
1.168
Melting Point
164-165°C
Boiling Point
600.4 °C at 760 mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.539
Flash Point
219.5 °C
Alpha
25546 -170.5° (c = 1.0 in CH3OH)
Solubility
Insoluble
Other physical and chemical properties
PHYSICAL DESCRIPTION: White microcrystals or white powder. (NTP, 1992)
Stability
No data.
Storage temp
−20°C
Safety and Handling
Hazard Codes
C
Risk Statements
R34;R62;R63
Safety Statements
S26;S36/37/39;S45
HazardClass
4.1
Safety

Experimental reproductive effects. Questionable carcinogen with experimental neoplastigenic, tumorigenic, and teratogenic data. Mutation data reported. A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Flash point data for Zearalenone are not available. Zearalenone is probably combustible.
Safety Information of Zearalenone (17924-92-4):
Hazard Codes: C,Xn,F
Risk Statements: 34-62-63-36-20/21/22-11
11:  Highly Flammable 
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed
34:  Causes burns  
36:  Irritating to the eyes 
62:  Possible risk of impaired fertility 
63:  Possible risk of harm to the unborn child 
Safety Statements: 26-36/37/39-45-36-16-36/37
16:  Keep away from sources of ignition - No smoking
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing  
37:  Wear suitable gloves 
39:  Wear eye/face protection
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
domestic animals - goat/sheep LD50 oral > 5mg/kg (5mg/kg)   Veterinary and Human Toxicology. Vol. 25, Pg. 335, 1983.
mouse LD oral > 2gm/kg (2000mg/kg)   National Toxicology Program Technical Report Series. Vol. NTP-TR-235, Pg. 1982,
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Veterinary and Human Toxicology. Vol. 25, Pg. 335, 1983.
rat LD50 oral > 16gm/kg (16000mg/kg)   Toxicology and Applied Pharmacology. Vol. 37, Pg. 144, 1976.

PackingGroup
II; III
Transport
UN 3261
Report

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 31 ,1983,p. 279.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 31 ,1983,p. 279.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Bioassay (feed); Clear Evidence: mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-235 ,1982. ; (feed); No Evidence: rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-235 ,1982. . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 17924-92-4 EC: 241-864-0 zearalenone ·ECHA C&L Inventory for CAS: CAS: 17924-92-4 EC: 241-864-0 zearalenone
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:318.369g/mol
  • Molecular Formula:C18H22O5
  • Compound Is Canonicalized:True
  • Exact Mass:318.147
  • Monoisotopic Mass:318.147
  • Complexity:445
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:83.8A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADBSgmAIyDoAABgCI AqDSCAACAAAkIAAIiAEGCMgIJzaCNRqCcUAl4BUIuQeI7LzOoAABCAAYAABAAAIQADAAAAAAAAAA AA==
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