1-phenylhexane-1,3-dione

Modify Date: 2025-09-30 19:34:22

1-phenylhexane-1,3-dione Structure
1-phenylhexane-1,3-dione structure
Common Name 1-phenylhexane-1,3-dione
CAS Number 5331-13-5 Molecular Weight 190.23800
Density 1.033g/cm3 Boiling Point 294.9ºC at 760 mmHg
Molecular Formula C12H14O2 Melting Point N/A
MSDS N/A Flash Point 110ºC

 Names

Name 1-phenylhexane-1,3-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.033g/cm3
Boiling Point 294.9ºC at 760 mmHg
Molecular Formula C12H14O2
Molecular Weight 190.23800
Flash Point 110ºC
Exact Mass 190.09900
PSA 34.14000
LogP 2.62860
Index of Refraction 1.507
InChIKey WBMJETLNTZLTFE-UHFFFAOYSA-N
SMILES CCCC(=O)CC(=O)c1ccccc1

 Synthetic Route

 1-phenylhexane-1,3-dioneBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

1-phenyl-1,3-hexadione
1-phenyl-1,3-hexadecanedione
buterylacetophenone
1-phenyl-hexane-1,3-dione
1-PHENYL-1,3-HEXANEDIONE
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