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Basic information
- CAS
772-01-0- Standard SMILES
c1ccc(C2OCCCO2)cc1- InChIKey
LNEMDIUSUQPKIP-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-Phenyl-1,3-dioxane
- IUPAC
- 2-phenyl-1,3-dioxane
- English name
- 2-phenyl-1,3-dioxane
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-Phenyl-1,3-dioxane1,3-Dioxane, 2-phenyl-2-Phenyl-m-dioxaneA70K3QI3S7EINECS 212-245-2NSC 71559NSC-71559UNII-A70K3QI3S7AI3-11755DTXSID9061122RefChem:89026DTXCID5047954
Show more names
Benzaldehyde trimethylene acetal
LNEMDIUSUQPKIP-UHFFFAOYSA-N2-Phenyl-1,3-dioxanm-Dioxane, 2-phenyl-772-01-02-Phenyl-[1,3]dioxaneNSC715592-phenyl [1,3]dioxaneNCIOpen2_000500
Database identifiers
- CAS
772-01-0- PubChem CID
- 69874
- DTXSID
DTXSID9061122- UNII
- A70K3QI3S7
- EC Number
- 212-245-2
- Nikkaji
- J111.033K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 41 °C · 41°C
- Boiling point
- 253 °C · 253°C (estimate)
- Density
- 1.111 · 1.1110
- refractive index
- 1.5155 · 1.5155 (estimate)
- FDA UNII
- 70 K3QI3S7 · A70K3QI3S7
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2-phenyl- (772-01-0)
- 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-phenyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers4 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
1 records
Compound notes
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