Basic information
- CAS
5421-99-8- Standard SMILES
CCCC1(C)OCC(C)(C)CO1- InChIKey
YVIHJMSLCZGXLX-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2,5,5-Trimethyl-2-propyl-1,3-dioxane
- IUPAC
- 2,5,5-trimethyl-2-propyl-1,3-dioxane
- English name
- 2,5,5-trimethyl-2-propyl-1,3-dioxane
- Molecular formula
- C10H20O2
- Molecular weight
- 172.2646
Names & synonyms
2,5,5-Trimethyl-2-propyl-1,3-dioxane5421-99-82-Propyl-2,5,5-trimethyl-1,3-dioxane1,3-Dioxane, 2,5,5-trimethyl-2-propyl-FS4YB3D9MVm-Dioxane, 2,5,5-trimethyl-2-propyl-NSC 6564NSC-6564EINECS 226-544-0UNII-FS4YB3D9MVMethylpropyl ketone, 2,2-dimethyl-1,3-propanediol ketalDTXSID0063862
Show more names
herbane2-pentanone 2',2'-dimethylpropylene ketal
RefChem:82658DTXCID6041638m-Dioxane, 2,5,5-trimethyl-2-propyl-(8CI)226-544-0NSC6564SCHEMBL14321148m-Dioxane,5,5-trimethyl-2-propyl-2,5,5-trimethyl-2-propyl-[1,3]dioxane
Database identifiers
- CAS
5421-99-8- PubChem CID
- 79462
- DTXSID
DTXSID0063862- UNII
- FS4YB3D9MV
- EC Number
- 226-544-0
- Nikkaji
- J218.002B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- LogP
- 2.6 · 2.600 (est)
- FDA UNII
- 4 YB3D9MV · FS4YB3D9MV
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2,5,5-trimethyl-2-propyl- (5421-99-8)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory Information1,3-Dioxane, 2,5,5-trimethyl-2-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 2,5,5-trimethyl-2-propyl-: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
1 records
Compound notes
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