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1009-14-9,MFCD00009480
Catalog No.:AA000325
1009-14-9 | 1-phenylpentan-1-one
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Purity
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5g
95%
in stock  
$15.00   $10.00
- +
25g
95%
in stock  
$22.00   $15.00
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100g
98%
in stock  
$58.00   $40.00
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500g
98%
in stock  
$215.00   $150.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000325
Chemical Name:
1-phenylpentan-1-one
CAS Number:
1009-14-9
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00009480
IUPAC Name:
1-phenylpentan-1-one
InChI:
InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key:
XKGLSKVNOSHTAD-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccccc1
EC Number:
213-767-3
UNII:
F27Q043NT1
NSC Number:
58959
Properties
Computed Properties
 
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
valerophenone 
Valerophenone 
2-propylacetophenone 
UNII-F27Q043NT1 
CHEBI:36812 
XKGLSKVNOSHTAD-UHFFFAOYSA-N 
F27Q043NT1 
Valerophenone, 98% 
1-Benzoylbutane 
NSC58959 
EINECS 213-767-3 
Valerophenone, 8CI 
1-phenylpentan-1-one 
NSC 58959 
Valerophenone, 99% 
4-methyl butyrophenone 
1-phenyl-pentan-1-one 
ACMC-1AUUS 
AI3-09309 
AC1L24LZ 
AC1Q2V6P 
AC1Q5F4L 
SCHEMBL50014 
1009-14-9 
KSC176C4R 
1009-14-9 Valerophenone 
CHEMBL372105 
Jsp000171 
DTXSID0061406 
CTK0H6148 
KS-00000VTZ 
XKGLSKVNOSHTAD-UHFFFAOYSA- 
ST033 
ACT09413 
Butyl phenyl ketone 
ZINC1689463 
ANW-14393 
BBL011454 
NSC-58959 
SBB064862 
STL146566 
AKOS000120679 
MCULE-2120491215 
RP22537 
RTX-013205 
Pentanophenone 
TRA0171670 
AJ-29978 
AN-19649 
AS-12867 
CJ-28002 
SC-71108 
SY013718 
DB-050776 
AM20020075 
FT-0657901 
1-Pentanone, 1-phenyl- 
FT-0675759 
ST24027162 
ST50406237 
MFCD00009480 (95%) 
Valerophenone; 1-phenylpentan-1-on; 1009-14-9 
I01-6122 
I01-7624 
W-108931 
F0001-0049 
InChI=1/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 
1-Phenyl-1-pentanone 
4-Methylbutyrophenone 
1-Phenylpentan-1-on 
C11H14O 
CID66093 
C11-H14-O 
Valerophenone, 99% - 100G 100g 
V0009 
C547345 
4160-52-5 
n-Butyl phenyl ketone 
MFCD00009480 
Literature

Title: [Analysis of head volatile constituents of Polyonum cuspidatum flower by HS-GC/MS].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20120201

Title: Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: a combined experimental-computational approach.

Journal: The journal of physical chemistry. A 20111020

Title: Photochemistry of 2-diphenylmethoxyacetophenone. Direct detection of a long-lived enol from a Norrish Type II photoreaction.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20110901

Title: (E)-[({[(3-Methyl-phen-yl)meth-yl]sulfan-yl}methane-thio-yl)amino](1-phenyl-pentyl-idene)amine.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: The reactivity of the 1,4-biradical formed by Norrish type reactions of aqueous valerophenone: a QM/MM-based FEP study.

Journal: The Journal of organic chemistry 20110204

Title: An extraction technique for analytical sample preparation in aqueous solution based on controlling dispersion of ionic surfactant assemblies in isotachophoretic migration.

Journal: Journal of chromatography. A 20110107

Title: Alkylresorcinol synthases expressed in Sorghum bicolor root hairs play an essential role in the biosynthesis of the allelopathic benzoquinone sorgoleone.

Journal: The Plant cell 20100301

Title: Solvent effects on photoreactivity of valerophenone: a combined QM and MM study.

Journal: The Journal of organic chemistry 20091204

Title: Characterization of an oligomeric carbonyl reductase of dog liver: its identity with peroxisomal tetrameric carbonyl reductase.

Journal: Biological & pharmaceutical bulletin 20070901

Title: Methyl chloroacetate as an extraction solvent for coupling liquid-liquid semimicroextraction with micellar electrokinetic chromatography through on-capillary decomposition for the separation of neutral compounds with concentration enhancement.

Journal: Journal of chromatography. A 20070413

Title: Inhibition of carbonyl reductase activity in pig heart by alkyl phenyl ketones.

Journal: Journal of enzyme inhibition and medicinal chemistry 20070201

Title: Synthesis of selective SRPK-1 inhibitors: novel tricyclic quinoxaline derivatives.

Journal: Bioorganic & medicinal chemistry letters 20050701

Title: Photodegradation of organic pollutants on the spruce needle wax surface under laboratory conditions.

Journal: Chemosphere 20041201

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