Acetaldehyde, 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-

HCID 175273

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Basic information

CAS: 72927-85-6
Standard SMILES: O=CCOC1CC2CC1C1CC=CC21
InChIKey: IKAWYZAMQMXCJD-UHFFFAOYSA-N
Molecular formula: C12H16O2
Average molar mass: 192.25 g/mol
Monoisotopic mass: 192.11502975

Overview

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Names & identifiers

Preferred name: Acetaldehyde, 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-
IUPAC: 2-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)acetaldehyde
English name: [(3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-inden-6-yl)oxy]-acetaldehyd
Molecular formula: C12H16O2
Molecular weight: 192.26

Names & synonyms

Acetaldehyde, ((3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy)-DTXSID80868201Acetaldehyde, [(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-Acetaldehyde, 2-((3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy)-Acetaldehyde, 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-RefChem:551512DTXCID5081633072927-85-62-((3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl)oxy)acetaldehydeSCHEMBL225367IKAWYZAMQMXCJD-UHFFFAOYSA-NNS00122239

Show more names

[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-inden-6-yl)oxy]-acetaldehyd[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-Acetaldehyde

((3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy) acetaldehyde[(3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl)oxy]acetaldehyde

Database identifiers

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 271

Physicochemical properties

Odor: fruity
LogP: 1.982 · 1.982 (est)
EPA Substance Registry System: Acetaldehyde, [(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]- (72927-85-6)
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.

Hazard information

Regulatory InformationChemical: Acetaldehyde, [(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetaldehyde, 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl)oxy]-: ACTIVE

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