Zearalenone
Properties
- Molecular formula
- C18H22O5
- Molar mass
- 318.37 g/mol
- Exact mass
- 318.1467 Da
- Melting point
- 164.5 °C
- Water solubility
- < 100 mg/L (17.8 °C)
- logP
- 3.58Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 0
- Stereocentres
- Sin SMILES atom order
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H314 Causes severe skin burns and eye damage97.8% of notifiers
- H361 Suspected of damaging fertility or the unborn child91.3% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P363, P405, P501
Identifiers
CAS number
17924-92-4SMILES
C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1InChIKey
MBMQEIFVQACCCH-QBODLPLBSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- 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)-(-)-
- 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
Work with Zearalenone
Similar compounds
Methyl 2,4,6-trihydroxybenzoate3147-39-536 % similar
Ethyl orsellinate2524-37-033 % similar
Methyl olivetolate58016-28-733 % similar
Ethyl olivetolate38862-65-632 % similar
2,4-Dihydroxy-6-propyl-benzoic acid methyl ester55382-52-032 % similar
Flopropione2295-58-131 % similar
Delta-Hexalactone823-22-331 % similar
2′,4′,6′-Trihydroxyacetophenone480-66-030 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.