1,3-Dioxane, 4-methyl-2-pentyl-
Basic information
- CAS
5455-66-3- Standard SMILES
CCCCCC1OCCC(C)O1- InChIKey
PAZFSHXCNQDZKF-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 1,3-Dioxane, 4-methyl-2-pentyl-
- IUPAC
- 4-methyl-2-pentyl-1,3-dioxane
- English name
- 4-Methyl-2-pentyl-1,3-dioxane
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
4-Methyl-2-pentyl-1,3-dioxane1,3-Dioxane, 4-methyl-2-pentyl-Hexaldehyde-1,3-butylene glycol acetalNSC 23483DTXSID80884163RefChem:72780DTXCID0010236275455-66-3NSC234831, 4-methyl-2-pentyl-SCHEMBL28330247PAZFSHXCNQDZKF-UHFFFAOYSA-N
Show more names
NSC-23483
Database identifiers
- CAS
5455-66-3- PubChem CID
- 95612
- DTXSID
DTXSID80884163- Nikkaji
- J421.768C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- LogP
- 2.858 · 2.858 (est)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 4-methyl-2-pentyl- (5455-66-3)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 4-methyl-2-pentyl-: ACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…