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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 81039Generated: October 26, 2026

Cyclohexanecarboxylic acid, 1-methylethyl ester

Ai3-19658 · Einecs 229-474-9 · ISOPROPYL CYCLOHEXANECARBOXYLATE · Isopropyl Cyclohexanecarboxylate >Cyclohexanecarboxylic acid isopropyl ester · Cyclohexanecarboxylic acid, 1-methylethyl ester

https://huagongshe.com/en/chemical/81039

Cyclohexanecarboxylic acid, 1-methylethyl ester molecular structure

Identifiers & Physical Properties

CAS No.6553-80-6
Molecular formulaC10H18O2
Average molar mass170.25 g/mol
Monoisotopic mass170.13067982 g/mol
SMILESCC(C)OC(=O)C1CCCCC1
InChIKeyPMQZNGSMBAGPRU-UHFFFAOYSA-N
PubChem CID81039
EC No.229-474-9
DTXSIDDTXSID10215825

Chemical & Physical Properties

XLogP3
Topological polar surface area26.3
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds3
Heavy atoms12
Formal charge0
Complexity146
Boiling point131 °C
Density0.94
Refractive index1.4380-1.4390
Physical stateclear liquid
Specific gravity0.94
ColorColorless to Almost colorless
LogP (partition coefficient)3.120 (est)
Signal wordWarning
GHS hazard statementsH227
GHS precautionary statementsP210-P280-P370+P378-P403+P235-P501
Customs code2916200090

Safety & Regulations

Customs code2916200090
Signal wordWarning
GHS hazard statementsH227
GHS precautionary statementsP210-P280-P370+P378-P403+P235-P501