Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester

Borneol lactate · Einecs 267-774-1 · 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl lactate · 1,7,7-Trimethylbicyclo(2,2,1)heptan-2-ol, 2-hydroxypropanoate · 2-Hydroxypropanoic acid 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl ester · Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester · Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl ester

https://huagongshe.com/en/chemical/106971

Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester molecular structure

Identifiers & Physical Properties

CAS No.	67923-58-4
Molecular formula	C13H22O3
Average molar mass	226.31 g/mol
Monoisotopic mass	226.15689456 g/mol
SMILES	CC(O)C(=O)OC1CC2CCC1(C)C2(C)C
InChIKey	PKKVIPFBICXMFP-UHFFFAOYSA-N
PubChem CID	106971
EC No.	267-774-1
DTXSID	DTXSID70867405

Chemical & Physical Properties

XLogP	3
Topological polar surface area	46.5
Hydrogen bond donors	1
Hydrogen bond acceptors	3
Rotatable bonds	3
Heavy atoms	16
Formal charge	0
Complexity	310
Boiling point	290.8±13.0 °C(Predicted)
Density	1.08±0.1 g/cm3(Predicted)
pKa (acidity coefficient)	13.01±0.20(Predicted)
LogP (partition coefficient)	2.692 (est)
EPA Substance Registry System	Borneol lactate (67923-58-4)
TSCA inventory status	TSCA listed

Safety & Regulations

Regulatory information	Chemical: Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl ester
Other safety information	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
TSCA inventory status	TSCA listed