4-Isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde

Einecs 267-559-2 · 4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde · 1-Isopropyl-4-methylbicyclo(2.2.2)-2-octene-5-carboxaldehyde · 1-Methyl-4-(1-methylethyl)bicyclo(2.2.2)oct-2-ene-6-carboxaldehyde · Bicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)-

https://huagongshe.com/en/chemical/106943

4-Isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde molecular structure

Identifiers & Physical Properties

CAS No.	36208-33-0
Molecular formula	C13H20O
Average molar mass	192.3 g/mol
Monoisotopic mass	192.15141526 g/mol
SMILES	CC(C)C12C=CC(C)(CC1)C(C=O)C2
InChIKey	LXYNULJSTVMWAJ-UHFFFAOYSA-N
PubChem CID	106943
EC No.	267-559-2
DTXSID	DTXSID70867384

Chemical & Physical Properties

XLogP	3.5
Topological polar surface area	17.1
Hydrogen bond donors	0
Hydrogen bond acceptors	1
Rotatable bonds	2
Heavy atoms	14
Formal charge	0
Complexity	279
Cosmetics Ingredients Functions	PERFUMING
LogP (partition coefficient)	3.571 (est)
EPA Substance Registry System	Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)- (67890-79-3)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H317
GHS precautionary statements	P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA inventory status	TSCA listed

Safety & Regulations

GHS classification	WarningH317 (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)Aggregated GHS information provided per 234 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatory information	Chemical: Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)-
Hazard Classes and Categories	Skin Sens. 1B (100%)
TSCA inventory status	TSCA listed
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H317
GHS precautionary statements	P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 106943Generated: November 3, 2026

4-Isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde

https://huagongshe.com/en/chemical/106943

Identifiers & Physical Properties

CAS No.	36208-33-0
Molecular formula	C13H20O
Average molar mass	192.3 g/mol
Monoisotopic mass	192.15141526 g/mol
SMILES	CC(C)C12C=CC(C)(CC1)C(C=O)C2
InChIKey	LXYNULJSTVMWAJ-UHFFFAOYSA-N
PubChem CID	106943
EC No.	267-559-2
DTXSID	DTXSID70867384

Chemical & Physical Properties

XLogP	3.5
Topological polar surface area	17.1
Hydrogen bond donors	0
Hydrogen bond acceptors	1
Rotatable bonds	2
Heavy atoms	14
Formal charge	0
Complexity	279
Cosmetics Ingredients Functions	PERFUMING
LogP (partition coefficient)	3.571 (est)
EPA Substance Registry System	Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)- (67890-79-3)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H317
GHS precautionary statements	P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA inventory status	TSCA listed

Safety & Regulations

GHS classification	WarningH317 (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)Aggregated GHS information provided per 234 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatory information	Chemical: Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)-
Hazard Classes and Categories	Skin Sens. 1B (100%)
TSCA inventory status	TSCA listed
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H317
GHS precautionary statements	P261-P272-P280-P302+P352-P333+P313-P321-P363-P501