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22518-06-5

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22518-06-5 Structure

22518-06-5 Structure
IdentificationBack Directory
[Name]

10-isobutyryloxy-8,9-epoxythymol isobutyrate
[CAS]

22518-06-5
[Synonyms]

10-isobutyryloxy-8,9-epoxythymol isobutyrate
10-isobutyryloxy-8,9-epoxythymol isobutyrate >=95% (LC/MS-ELSD)
Propanoic acid, 2-methyl-, 5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]-2-oxiranyl]phenyl ester
[Molecular Formula]

C18H24O5
[MDL Number]

MFCD24849365
[MOL File]

22518-06-5.mol
[Molecular Weight]

320.38
Chemical PropertiesBack Directory
[Boiling point ]

418.6±45.0 °C(Predicted)
[density ]

1.123±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in DMSO
[form ]

solid
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChI]

1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3
[InChIKey]

OLARKEMZPWGFJU-UHFFFAOYSA-N
[SMILES]

CC(C)C(=O)OCC1(CO1)c2ccc(C)cc2OC(=O)C(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319-H413
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
[Definition]

ChEBI: Bis(2-methylpropanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene is a benzoate ester and a member of phenols.
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