Basic information
- CAS
3080-69-1- Standard SMILES
CCCCCCC1OCCC(C)O1- InChIKey
WHAXQUXICKDLJD-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2-hexyl-4-methyl-
- IUPAC
- 2-hexyl-4-methyl-1,3-dioxane
- English name
- 2-hexyl-4-methyl-1,3-dioxane
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29118
Names & synonyms
2-Hexyl-4-methyl-1,3-dioxane1,3-Dioxane, 2-hexyl-4-methyl-4-Methyl-2-hexyl-1,3-dioxaneHeptanal, cyclic trimethylene acetalm-Dioxane, 2-hexyl-4-methyl-Heptaldehyde-1,3-butylene glycol acetalHeptanal, cyclic 1-methyltrimethylene acetalNSC 6838EINECS 221-371-7Heptanal, cyclic 1,3-propanediyl acetalAI3-22552DTXSID30883944
Show more names
heptanal cyclic trimethylene acetal
RefChem:72773DTXCID801023421221-371-73080-69-1Heptanal,3-propanediyl acetalorb1986807NSC6838WHAXQUXICKDLJD-UHFFFAOYSA-N
Database identifiers
- CAS
3080-69-1- PubChem CID
- 95401
- DTXSID
DTXSID30883944- EC Number
- 221-371-7
- Nikkaji
- J217.240B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Odor
- 100 % · at 100.00 %. geranium rose
- Odor Type
- floral
- LogP
- 3.368 · 3.368 (est)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2-hexyl-4-methyl- (3080-69-1)
- 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 InformationChemical: 1,3-Dioxane, 2-hexyl-4-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 2-hexyl-4-methyl-: INACTIVE
Suppliers8 total
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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