Basic information
- CAS
931-96-4- Standard SMILES
CC1(C=O)CC=CCC1- InChIKey
HXKVDJIESURQMK-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 1-Methyl-3-cyclohexene-1-carbaldehyde
- IUPAC
- 1-methylcyclohex-3-ene-1-carbaldehyde
- English name
- 1-Methyl-3-cyclohexene-1-carbaldehyde
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
931-96-41-Methyl-3-cyclohexene-1-carbaldehydeDTXSID10340525RefChem:1055785DTXCID302916061-methylcyclohex-3-ene-1-carbaldehyde3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-formyl-4-methylcyclohexeneSCHEMBL2302574SCHEMBL20376892HXKVDJIESURQMK-UHFFFAOYSA-NAKOS006287336
Show more names
1-Methyl-3-cyclohexene-1-carbaldehyde #AS-92640H54236
Database identifiers
- CAS
931-96-4- PubChem CID
- 565407
- DTXSID
DTXSID10340525- Nikkaji
- J100.507C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 164 · 164-166 °C
- Density
- 0.9447 g/cm3 · 0.9447 g/cm3
- storage temp.
- -20 °C, · -20°C, stored under nitrogen
- Appearance
- Colorless to light yellow Liquid
- LogP
- 1.928 · 1.928 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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