α-Zearalenol | CAS No. 36455-72-8

α-Zearalenol

Basic Information

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CAS Number

36455-72-8

Molecular Formula

C18H24O5

Molecular Weight

320.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

169-170 ºC

Boiling Point

599ºC at 760 mmHg

Refractive Index

1.548

SMILES

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CC1CCCC(CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1)O

InChI

InChI=1S/C18H24O5/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/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1

InChIKey

FPQFYIAXQDXNOR-QDKLYSGJSA-N

LogP

3.3714000000000035

Topological Polar Surface Area

86.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

408

Safety Information

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Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

CHEBI:35065
(3S,7R)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
alpha-Zearalenol
1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S-(3R*,7S*,11Z))-
1ST7202-100A
(4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
SCHEMBL109175
1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S-(3R*,7S*,11E))-
(3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
?-ZEARALENOL
alpha zearalenol
alpha -Zearalenol
trans-Zearalenol
1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)-
NS00009213
UNII-59D4EVJ5KC
36455-71-7
(2E,7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraen-13-one
DTXSID8022402
AKOS040740692
NCGC00485224-01
36455-72-8
CHEMBL371463
1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-
SCHEMBL343610
alpha-Zearalenol in Acetonitrile, 100ug/mL
Q27890390
cis-Zearalenol
SGCUT00105
1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R,11E)-
59D4EVJ5KC

MDL Number

MFCD16657008

FAQ

What regulatory guidelines apply to α-Zearalenol (CAS: 36455-72-8)?

α-Zearalenol (CAS: 36455-72-8) should comply with the regulations under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH in the European Union, and requirements set by the FDA and EPA in the United States. It is classified as a potentially toxic substance, requiring special handling to prevent exposure and ensure safety.

Are there alternatives to α-Zearalenol (CAS: 36455-72-8) in synthesis?

While α-Zearalenol (CAS: 36455-72-8) is used in various applications, alternatives like β-Zearalenol or other zearalenone analogs can be considered in synthesis. Other substitute reagents such as estradiol or synthetic estrogen compounds might be used depending on the specific application requirements and regulatory compliance.

What is the market or research trend for α-Zearalenol (CAS: 36455-72-8)?

The market for α-Zearalenol (CAS: 36455-72-8) is fluctuating due to regulatory changes and health concerns. Research trends are focusing on understanding its environmental impacts and health effects, as well as exploring its potential as a bioactive compound in agricultural and pharmaceutical applications. Price trends suggest a steady demand with occasional spikes due to regulatory scrutiny.

How should waste containing α-Zearalenol (CAS: 36455-72-8) be handled?

Waste containing α-Zearalenol (CAS: 36455-72-8) should be collected in appropriate containers and handled under hazardous waste regulations. Proper incineration or professional waste disposal services are recommended to ensure the safe destruction of the compound. Environmental protection precautions include adhering to local and national guidelines to prevent contamination and ensure the safe disposal of waste.