4-Phenyl-1,3-dioxane
Basic information
- CAS
772-00-9- Standard SMILES
c1ccc(C2CCOCO2)cc1- InChIKey
RCJRILMVFLGCJY-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 4-Phenyl-1,3-dioxane
- IUPAC
- 4-phenyl-1,3-dioxane
- English name
- 4-Phenyl-1,3-dioxane
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
4-Phenyl-1,3-dioxane772-00-91,3-Dioxane, 4-phenyl-DTXSID70870772RefChem:526311DTXCID60818466212-244-7m-Dioxane, 4-phenyl-4-Phenyl-m-dioxaneMFCD00006568EINECS 212-244-7NSC 406730
Show more names
4-phenyl-3-dioxane4-Pheny-1,3-dioxane4-Phenyl-1,3-dioxan4-Phenyl-1,3-dioxane>(4S)-4-phenyl-1,3-dioxane4-PHENYL-1,3-DIOXANE, 99+%
AI3-058494-phenyl-[1,3]dioxaneSCHEMBL302063SCHEMBL1937759NSC406730SBB068827STL318674AKOS015840560
Database identifiers
- CAS
772-00-9- PubChem CID
- 92840
- DTXSID
DTXSID70870772- EC Number
- 212-244-7
- Nikkaji
- J25.403G
Properties
Computed structural properties
- 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
- 130
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 250 · 250-251 °C(lit.)
- Density
- 1.111 g/mL · 1.111 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.53(lit.)
- Flash point
- 230 °F · >230 °F
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.111 · 1.111
- CAS DataBase Reference
- 772 · 772-00-9(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 4-phenyl- (772-00-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1,3-Dioxane, 4-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 1,3-Dioxane.
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29329900
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 4-phenyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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