(3,3-Diethoxypropyl)benzene
Basic information
- CAS
6956-37-2- Standard SMILES
CCOC(CCc1ccccc1)OCC- InChIKey
PUAHZQALAWRSNP-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- (3,3-Diethoxypropyl)benzene
- IUPAC
- 3,3-diethoxypropylbenzene
- English name
- (3,3-diethoxypropyl)benzene
- Molecular formula
- C13H20O2
- Molecular weight
- 208.2967
Names & synonyms
(3,3-Diethoxypropyl)benzene6956-37-2Hydrocinnamaldehyde, diethyl acetalBenzene, (3,3-diethoxypropyl)-EINECS 230-141-5NSC 65026DTXSID8064517RefChem:399208DTXCID4046521230-141-53,3-diethoxypropylbenzeneBenzene,(3,3-diethoxypropyl)-
Show more names
Hydrocinnamaldehyde diethyl acetalEthyl(1-ethoxy-3-phenylpropyl) ether
JH38ETY7K7MFCD00871390NSC-65026NSC650263-PHENYLPROPANAL DIETHYL ACETALUNII-JH38ETY7K7Benzene,3-diethoxypropyl)-hydrocinnamaldehyde diethylacetal
Database identifiers
- CAS
6956-37-2- PubChem CID
- 64820
- DTXSID
DTXSID8064517- UNII
- JH38ETY7K7
- EC Number
- 230-141-5
- Nikkaji
- J265.997B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- LogP
- 3.014 · 3.014 (est)
- FDA UNII
- 38 ETY7K7 · JH38ETY7K7
- EPA Substance Registry System
- (3,3-Diethoxypropyl)benzene (6956-37-2)
- 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.
Hazard information
Regulatory InformationChemical: Benzene, (3,3-diethoxypropyl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (3,3-diethoxypropyl)-: INACTIVE
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Compound notes
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