Basic information
- CAS
4757-23-7- Standard SMILES
Cc1ccc(C2OCC(O)CO2)cc1- InChIKey
IIDQVIGMKXQUDM-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Overview
2-(4-Methylphenyl)-1,3-dioxan-5-ol is a member of toluenes.
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)-1,3-dioxan-5-ol
- IUPAC
- 2-(4-methylphenyl)-1,3-dioxan-5-ol
- English name
- 2-(4-methylphenyl)-1,3-dioxan-5-ol
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
2-(4-Methylphenyl)-1,3-dioxan-5-ol4757-23-7EINECS 225-295-5DTXSID80197200RefChem:84468DTXCID50119691225-295-5SCHEMBL17818420CHEBI:173957IIDQVIGMKXQUDM-UHFFFAOYSA-NDB-239017NS00012971
Show more names
methyl phenyl-1,3-dioxanol1,3-Dioxan-5-ol, 2-(4-methylphenyl)-1,3-Dioxan-5-ol,2-(4-methylphenyl)-(9CI)
Database identifiers
- CAS
4757-23-7- PubChem CID
- 52856
- DTXSID
DTXSID80197200- ChEBI
CHEBI:173957- EC Number
- 225-295-5
- Nikkaji
- J262.438I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 350 · 350.0±37.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 13.57 · 13.57±0.40(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 0.96 · 0.960 (est)
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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,3-Dioxan-5-ol, 2-(4-methylphenyl)-
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Additional notes
DefinitionChEBI: 2-(4-Methylphenyl)-1,3-dioxan-5-ol is a member of toluenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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