Basic information
- CAS
5468-00-8- Standard SMILES
c1ccc(CC2OCCCO2)cc1- InChIKey
OYXWNUNPFXKSEM-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 2-Benzyl-1,3-dioxane
- IUPAC
- 2-benzyl-1,3-dioxane
- English name
- Phenylacetaldehyde 1,3-propanediyl acetal
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
2-Benzyl-1,3-dioxane2-Phenylmethyl-1,3-dioxane1,3-Dioxane, 2-(phenylmethyl)-J5F6K2E9WENSC 25469NSC-25469UNII-J5F6K2E9WEAI3-14403Phenyl acetaldehyde cyclic acetal with trimethylene glycolDTXSID70639262-(PHENYLMETHYL)-1,3-DIOXANERefChem:85571
Show more names
Phenylacetaldehyde 1,3-propanediyl acetal
DTXCID50417765468-00-8NSC25469SCHEMBL25585SCHEMBL4367798
Database identifiers
- CAS
5468-00-8- PubChem CID
- 79601
- DTXSID
DTXSID7063926- UNII
- J5F6K2E9WE
- Nikkaji
- J285.776F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- FDA UNII
- 5 F6K2E9WE · J5F6K2E9WE
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2-(phenylmethyl)- (5468-00-8)
- 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, 2-(phenylmethyl)-: INACTIVE
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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