Basic information
- CAS
776-88-5- Standard SMILES
CC1(C)COC(c2ccccc2)OC1- InChIKey
VUJMMVJKRWURKX-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1,3-Dioxane, 5,5-dimethyl-2-phenyl-
- IUPAC
- 5,5-dimethyl-2-phenyl-1,3-dioxane
- English name
- 5,5-dimethyl-2-phenyl-1,3-dioxane
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
5,5-Dimethyl-2-phenyl-1,3-dioxane1,3-Dioxane, 5,5-dimethyl-2-phenyl-776-88-5m-Dioxane, 5,5-dimethyl-2-phenyl-EINECS 212-284-5NSC 46263AI3-05746DTXSID4061129Benzaldehyde-, 2,2-dimethyl-1,3-propanediol acetalRefChem:72782DTXCID2047983212-284-5
Show more names
2-Phenyl-5,5-dimethyl-1,3-dioxaneBenzaldehyde 2,2-dimethyltrimethylene acetalBenzaldehyde 2,2-dimethylpropane-1,3-diyl acetalBenzaldehyde (2,2-dimethylpropane-1,3-diyl)acetal
NSC-46263NSC462631,3-Dioxane,5,5-dimethyl-2-phenyl-UHH4ZL8XZKorb1986803SCHEMBL86085581, 5,5-dimethyl-2-phenyl-SCHEMBL11823067
Database identifiers
- CAS
776-88-5- PubChem CID
- 69895
- DTXSID
DTXSID4061129- UNII
- UHH4ZL8XZK
- EC Number
- 212-284-5
- Nikkaji
- J193.165B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 5,5-dimethyl-2-phenyl- (776-88-5)
- 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, 5,5-dimethyl-2-phenyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers8 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]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
2 records
Compound notes
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