Basic information
- CAS
945426-65-3- Standard SMILES
COC(C)CC=C1C(C)=CCCC1(C)C- InChIKey
UJJLMWKISWEECA-UHFFFAOYSA-N- Molecular formula
- C14H24O
- Average molar mass
- 208.34 g/mol
- Monoisotopic mass
- 208.18271539
Names & identifiers
- Preferred name
- 6-(3-Methoxybutylidene)-1,5,5-trimethylcyclohex-1-ene
- IUPAC
- 6-(3-methoxybutylidene)-1,5,5-trimethylcyclohexene
- English name
- retro-Methoxy-α-ionol
- Molecular formula
- C14H24O
- Molecular weight
- 208.34
Names & synonyms
RETRO-METHYL-ALPHA-IONOL6-(3-methoxybutylidene)-1,5,5-trimethylcyclohexene6-(3-Methoxybutylidene)-1,5,5-trimethylcyclohex-1-ene(6Z)DTXSID80699512retro-Methyl-α-ionolretro-Methyl-α-ionolretro-Methoxy-α-ionolretro-Methoxy-a-ionol(6Z)-6-(3-Methoxybutylidene)-1,5,5-trimethyl-cyclohexene4-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-butan-2-methoxy4-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-2-methoxybutane
Show more names
Cyclohexene, 6-(3-methoxybutylidene)-1,5,5-trimethyl-, (6Z)-
Database identifiers
- CAS
945426-65-3- PubChem CID
- 53427331
- DTXSID
DTXSID80699512
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 261.723 · 261.723±19.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.907 · 0.907±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform
- form
- Oil
- color
- Colourless
- LogP
- 4.87 · 4.870 (est)
Chemistry & industry
Applications
UsesAn intermediate for synthesizing β-Damascenone.
UsesAn intermediate for synthesizing Damascenone.
Upstream & downstream products
Downstream products
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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