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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 106913Generated: October 30, 2026

Hexanoic acid, 3,5,5-trimethyl-, 2-mercaptoethyl ester

Einecs 267-405-4 · 2-mercaptoethyl 3,5,5-trimethylhexanoate · 3,5,5-Trimethylhexanoic acid 2-mercaptoethyl ester · Hexanoic acid, 3,5,5-trimethyl-, 2-mercaptoethyl ester

https://huagongshe.com/en/chemical/106913

Hexanoic acid, 3,5,5-trimethyl-, 2-mercaptoethyl ester molecular structure

Identifiers & Physical Properties

CAS No.67859-58-9
Molecular formulaC11H22O2S
Average molar mass218.36 g/mol
Monoisotopic mass218.13405111 g/mol
SMILESCC(CC(=O)OCCS)CC(C)(C)C
InChIKeyHCIZFLGIBDLOLH-UHFFFAOYSA-N
PubChem CID106913
EC No.267-405-4
DTXSIDDTXSID80886965

Chemical & Physical Properties

XLogP3.4
Topological polar surface area27.3
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds7
Heavy atoms14
Formal charge0
Complexity173
EPA Substance Registry System2-Mercaptoethyl 3,5,5-trimethylhexanoate (67859-58-9)
TSCA inventory statusTSCA listed

Safety & Regulations

TSCA inventory statusTSCA listed