Basic information
- CAS
73398-85-3- Standard SMILES
CC1=CCCC(C)(C)C1CCC(C)C=O- InChIKey
VDBFZEMBBKEKPI-UHFFFAOYSA-N- Molecular formula
- C14H24O
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.18271539
Names & identifiers
- Preferred name
- 2-Methyl-4-(2,6,6-trimethylcyclohex-2-EN-1-YL)butanal
- IUPAC
- 2-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal
- English name
- alpha,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde
- Molecular formula
- C14H24O
- Molecular weight
- 208.34
Names & synonyms
73398-85-32-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanalEINECS 277-458-5T2RHF282JD2-CETONAL2-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl-2-Cyclohexene-1-butanal, alpha,2,6,6-tetramethyl-.ALPHA.,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANALRefChem:475482alpha,2,6,6-Tetramethyl-2-cyclohexene-1-butanal.ALPHA.,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANAL, (+-)-ALPHA,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANAL, (+-)-
Show more names
2-orris butanal2-Cyclohexene-1-butanal, α,2,6,6-tetramethyl-α,2,6,6-tetramethyl-2-cyclohexene-1-butyraldehyde2-Methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)butanalalpha.,2,6,6-Tetramethyl-2-cyclohexen-1-butyraldehyd
alpha,2,6,6-Tetramethyl-2-cyclohexene-1-butyraldehyde2-Cyclohexene-1-butanal,a,2,6,6-tetramethyl-UNII-T2RHF282JDSCHEMBL933394VDBFZEMBBKEKPI-UHFFFAOYSA-NDTXSID801358476NS00059273.ALPHA.,2,6,6-TETRAMETHYL-2-CYCLOHEXENE-1-BUTANAL, (+/-)-
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- FLAVIS Number
- 5.183 · 05.183 | 4-(2,6,6-Trimethylcyclohexenyl)-2-methylbutanal
- LogP
- 4.82 · 4.820 (est)
- FDA UNII
- 2 RHF282JD · T2RHF282JD
- EPA Substance Registry System
- 2 · 2-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl- (73398-85-3)
- 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Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclohexene-1-butanal, .alpha.,2,6,6-tetramethyl-: INACTIVE
Suppliers3 total
Chemical sources Association Inc—
北京北大正元科技有限公司[email protected]
NICHOLAS PIRAMAL INDIA LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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