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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106918Generated: November 3, 2026

Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester

Einecs 267-431-6 · cyclandelate-002 · Cyclandelate Impurity 3 · Cyclandelate Impurity 2 · 3,3,5-trimethylcyclohexyl phenylacetate · 3,3,5-trimethylcyclohexyl 2-phenylacetate · Benzeneacetic acid 3,3,5-trimethylcyclohexyl ester · (+/-)-phenylacetic acid-(3,3,5c()-trimethyl-cyclohex-r-yl ester)

https://huagongshe.com/en/chemical/106918

Benzeneacetic acid, 3,3,5-trimethylcyclohexyl ester molecular structure

Identifiers & Physical Properties

CAS No.67859-97-6
Molecular formulaC17H24O2
Average molar mass260.4 g/mol
Monoisotopic mass260.17763 g/mol
SMILESCC1CC(OC(=O)Cc2ccccc2)CC(C)(C)C1
InChIKeyJJRRLZZVCHJDHV-UHFFFAOYSA-N
PubChem CID106918
EC No.267-431-6
DTXSIDDTXSID20886969

Chemical & Physical Properties

XLogP4.8
Topological polar surface area26.3
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds4
Heavy atoms19
Formal charge0
Complexity302
Boiling point337.1±11.0 °C(Predicted)
Density1.01±0.1 g/cm3(Predicted)
EPA Substance Registry SystemBenzeneacetic acid, 3,3,5-trimethylcyclohexyl ester (67859-97-6)
TSCA inventory statusTSCA listed

Safety & Regulations

TSCA inventory statusTSCA listed