Basic information
- CAS
5736-87-8- Standard SMILES
CCCOc1ccc(C(=O)CC)cc1- InChIKey
WRMLGNJEOPKSSD-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-(4-Propoxyphenyl)-1-propanone
- IUPAC
- 1-(4-propoxyphenyl)propan-1-one
- English name
- 1-(4-Propoxyphenyl)propan-1-one
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
5736-87-81-Propanone, 1-(4-propoxyphenyl)-1-(4-Propoxyphenyl)-1-propanoneDTXSID10205963RefChem:1054471DTXCID401284541-(4-propoxyphenyl)propan-1-one4'-PropoxypropiophenonePropiophenone, 4'-propoxy-MFCD01694976BRN 23623321-Propanone, 1-(4-propoxyphenyl)- (9CI)
Show more names
IVK/9125478ZINC02089062AK-968/15361844
4-08-00-00442 (Beilstein Handbook Reference)SCHEMBL8172219WRMLGNJEOPKSSD-UHFFFAOYSA-NALBB-002908BBL014148SBB017368STK4122111-(4-Propoxyphenyl)-1-propanone #
Database identifiers
- CAS
5736-87-8- PubChem CID
- 201267
- DTXSID
DTXSID10205963- Nikkaji
- J51.131E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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