Basic information
- CAS
6975-94-6- Standard SMILES
CC1C=CCC(C)C1C=O- InChIKey
CJHVOGFYMKIUAW-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Overview
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Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-cyclohexene-1-carbaldehyde
- IUPAC
- 2,6-dimethylcyclohex-3-ene-1-carbaldehyde
- English name
- 3,5-Dimethylcyclohex-1-ene-4-carboxaldehyde
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
2,6-Dimethyl-3-cyclohexene-1-carbaldehyde6975-94-6DTXSID80281153RefChem:248468DTXCID802323072,6-dimethylcyclohex-3-ene-1-carbaldehydeNSC20560SCHEMBL27566039CJHVOGFYMKIUAW-UHFFFAOYSA-NNSC-205603,5-Dimethylcyclohex-1-ene-4-carboxaldehydeNS00130749
Show more names
3-Cyclohexene-1-carboxaldehyde, 2,6-dimethyl-
2,6-Dimethyl-3-cyclohexene-1-carbaldehyde #
Database identifiers
- CAS
6975-94-6- PubChem CID
- 228010
- DTXSID
DTXSID80281153
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 79 · 79-80 °C(Press: 20 Torr)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesSkin Sens. 1B
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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