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Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-

HCID 106964
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
36208-34-1
Standard SMILES
CC(C)C12C=CC(C)(CC1)CC2C=O
InChIKey
PDSPBIIMJJPMBL-UHFFFAOYSA-N
Molecular formula
C13H20O
Average molar mass
192.302 g/mol
Monoisotopic mass
192.15141526

Names & identifiers

Preferred name
Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-
IUPAC
4-Methyl-1-(propan-2-yl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
English name
1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
Molecular formula
C13H20O
Molecular weight
192.3

Names & synonyms

Einecs 267-755-81-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde1-Isopropyl-4-methylbicyclo(2.2.2)-5-octene-2-carboxaldehyde4-Methyl-1-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehydeBicyclo(2.2.2)oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)-

Database identifiers

CAS
36208-34-1、36208-59-0、67920-94-9
PubChem CID
106964
DTXSID
DTXSID50867403
EC Number
267-755-8
Nikkaji
J317.206F

Properties

Physicochemical properties

Boiling point
246.2 · 246.2±29.0 °C(Predicted)
Density
1.042 · 1.042±0.06 g/cm3(Predicted)
Cosmetics Ingredients Functions
PERFUMING
LogP
3.571 · 3.571 (est)
EPA Substance Registry System
2.2 · Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 4-methyl-1-(1-methylethyl)- (67920-94-9)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Related reactions

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Compound notes

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