Basic information
- CAS
19256-31-6- Standard SMILES
CCOC(OCC)C(=O)Cc1ccccc1- InChIKey
LFYMGSKZVOVUKZ-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 2-Propanone, 1,1-diethoxy-3-phenyl-
- IUPAC
- 1,1-diethoxy-3-phenylpropan-2-one
- English name
- 1,1-diethoxy-3-phenylacetone
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
19256-31-62-Propanone, 1,1-diethoxy-3-phenyl-EINECS 242-922-8DTXSID3066473RefChem:478542DTXCID10360441,1-diethoxy-3-phenylpropan-2-one1,1-Diethoxy-3-phenylacetoneMFCD115551681,1-DIETHOXY-3-PHENYL-2-PROPANONESCHEMBL9347931,1-diethoxy-3-phenyl-propan-2-one
Show more names
3-Phenylpyruvaldehyde diethyl acetal
AKOS015891490CS-15758SY318889DB-013751CS-0043260NS00026282A51235F602090
Database identifiers
- CAS
19256-31-6- PubChem CID
- 87992
- DTXSID
DTXSID3066473- EC Number
- 242-922-8
- Nikkaji
- J242.755I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C13H18O3/c1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3
- InChIKey
- LFYMGSKZVOVUKZ-UHFFFAOYSA-N
- SMILES
- C(OCC)(OCC)C(=O)CC1=CC=CC=C1
- EPA Substance Registry System
- 2 · 2-Propanone, 1,1-diethoxy-3-phenyl- (19256-31-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propanone, 1,1-diethoxy-3-phenyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers21 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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