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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 104413Generated: October 27, 2026

2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-

DIACETOXYCUMOLONE 96 · 4-(2,5-diacetoxy-3,4,6-trimethylphenyl)-butan-2-one · 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]-2-butanon · 2-BUTANONE, 4-[2,5-BIS(ACETYLOXY)-3,4,6-TRIMETHYLPHENYL]-

https://huagongshe.com/en/chemical/104413

2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- molecular structure

Identifiers & Physical Properties

CAS No.53101-69-2
Molecular formulaC17H22O5
Average molar mass306.4 g/mol
Monoisotopic mass306.1467238 g/mol
SMILESCC(=O)CCc1c(C)c(OC(C)=O)c(C)c(C)c1OC(C)=O
InChIKeyZLPIWEHMRPAXFS-UHFFFAOYSA-N
PubChem CID104413
DTXSIDDTXSID9068827

Chemical & Physical Properties

XLogP2.4
Topological polar surface area69.7
Hydrogen bond donors0
Hydrogen bond acceptors5
Rotatable bonds7
Heavy atoms22
Formal charge0
Complexity431
Melting point86-90 °C(lit.)
EPA Substance Registry System2-Butanone, 4-[2,5-bis(acetyloxy)-3,4,6-trimethylphenyl]- (53101-69-2)
Water hazard class (WGK)3
TSCA inventory statusTSCA listed

Safety & Regulations

Water hazard class (WGK)3
TSCA inventory statusTSCA listed