Basic information
- CAS
61382-53-4- Standard SMILES
CC1(C)CCCC(CC=O)C1- InChIKey
BDNFKTJPCKWKHE-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 3,3-Dimethylcyclohexaneacetaldehyde
- IUPAC
- 2-(3,3-dimethylcyclohexyl)acetaldehyde
- English name
- (3,3-Dimethylcyclohexyl)acetaldehyde
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
61382-53-43,3-dimethylcyclohexaneacetaldehydeDTXSID60423857RefChem:270408DTXCID80374695BDNFKTJPCKWKHE-UHFFFAOYSA-N2-(3,3-dimethylcyclohexyl)acetaldehyde(3,3-DIMETHYLCYCLOHEXYL)ACETALDEHYDESCHEMBL832439AKOS006274602EN300-1825861F2147-6831
Show more names
Cyclohexaneacetaldehyde, 3,3-dimethyl-(3,3-Dimethylcyclohexyl)acetaldehyde, tech.
Z1198149195
Database identifiers
- CAS
61382-53-4- PubChem CID
- 6428752
- DTXSID
DTXSID60423857- EC Number
- 983-925-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 209.3 · 209.3±9.0 °C(Predicted)
- Density
- 0.858 · 0.858±0.06 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Applications
Uses2-(3,3-dimethylcyclohexyl)acetaldehyde is a reagent used in the synthesis of fragrant compounds.
Suppliers4 total
Ryan Scientific, Inc.[email protected]
INTRCHM-FLUR[email protected]
PFALTZ-BAUER[email protected]
MOLEKULA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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