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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 166344Generated: October 28, 2026

Hexane, 1,1-dimethoxy-3,5,5-trimethyl-

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Hexane, 1,1-dimethoxy-3,5,5-trimethyl- molecular structure

Identifiers & Physical Properties

CAS No.72894-13-4
Molecular formulaC11H24O2
Average molar mass188.31 g/mol
Monoisotopic mass188.17763 g/mol
SMILESCOC(CC(C)CC(C)(C)C)OC
InChIKeyOKMANJUJOSTZGX-UHFFFAOYSA-N
PubChem CID166344
EC No.276-964-3
DTXSIDDTXSID70888231

Chemical & Physical Properties

XLogP3.5
Topological polar surface area18.5
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds6
Heavy atoms13
Formal charge0
Complexity123

Safety & Regulations

GHS classificationWarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatory informationHexane, 1,1-dimethoxy-3,5,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard