4,6-Dimethyl-2-octyl-(1,3)dioxane
Basic information
- CAS
1781828-42-9- Standard SMILES
CCCCCCCCC1OC(C)CC(C)O1- InChIKey
ZXUGODBUCOFIFE-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- 4,6-Dimethyl-2-octyl-(1,3)dioxane
- IUPAC
- 4,6-dimethyl-2-octyl-1,3-dioxane
Names & synonyms
NSC21906NSC-21906AKOS0243320834,6-DIMETHYL-2-OCTYL-(1,3)DIOXANE
Database identifiers
- CAS
1781828-42-9- PubChem CID
- 228780
- EC Number
- 118-891-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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