Home
search mVOC
Features / Tools
mVOC Literature
Help
Search mVOCs
Search mass spectra
Search emitter/receiver of discrete mVOCs
Browse mVOC
FAQ
Contact
Links
Statistics
Examples to analyse db entries
Add new mVOCs
Signatures
KEGG Pathways
Results for:
PubChem ID: 7678
1-phenylpropan-2-one
Mass-Spectra
Compound Details
Synonymous names
Phenylacetone
1-phenylpropan-2-one
1-Phenyl-2-propanone
103-79-7
Benzyl methyl ketone
Methyl benzyl ketone
Phenyl-2-propanone
1-Phenylacetone
2-Propanone, 1-phenyl-
3-Phenyl-2-propanone
Phenylmethyl methyl ketone
phenyl acetone
1-phenyl-propan-2-one
136675-26-8
phenylaceton
O7IZH10V9Y
CHEMBL3800510
NSC-9827
NSC 9827
Phenylacetone, 99%
EINECS 203-144-4
UNII-O7IZH10V9Y
(phenyl)acetone
AI3-02938
DEA No. 8501
methylbenzyl ketone
phenyl 2-propanone
1-phenyl propanedione
1-Phenylpropane-2-one
PHENYLACETONE [MI]
SCHEMBL43943
ghl.PD_Mitscher_leg0.660
DTXSID1059280
SCHEMBL13341529
CHEBI:52052
HSDB 8385
NSC9827
Phenylacetone, analytical standard
BCP22277
BDBM50167968
STL373560
AKOS004905656
MCULE-2102027204
NS00017966
A800807
Q418831
AMFETAMINE SULFATE IMPURITY B [EP IMPURITY]
InChI=1/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H
Microorganism:
Yes
IUPAC name
1-phenylpropan-2-one
SMILES
CC(=O)CC1=CC=CC=C1
Inchi
InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
Formula
C
9
H
1
0
O
PubChem ID
7678
Molweight
134.17
LogP
1.4
Atoms
10
Bonds
2
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
aromatic compounds
aromatic ketones
ketones
benzenoids
CHEBI-ID
52052
Supernatural-ID
SN0301338
mVOC Specific Details
Boiling Point
Degree
Reference
214 °C peer reviewed
Volatilization
The Henry's Law constant for phenyl 2-propanone is estimated as 4.0X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that phenyl 2-propanone is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 80 days(SRC). Phenyl 2-propanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Phenyl 2-propanone has an estimated vapor pressure of 0.16 mm Hg(SRC), determined from a fragment constant method(3) and exists as a liquid under environmental conditions; therefore, phenyl 2-propanone may volatilize from dry soil.
Soil Adsorption
The Koc of phenyl 2-propanone is estimated as 80(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that phenyl 2-propanone is expected to have high mobility in soil.
Massbank-Links
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002305
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP003654
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007141
Species emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Prokaryota
Bacillus Sp.
antifungal activity against Fusarium solani
Rhizosphere soil of avocado
Guevara-Avendaño et al. 2019
Prokaryota
Klebsiella Pneumoniae
clinical isolate,bacteremic patients
Rees et al. 2017
Prokaryota
Pseudomonas Sp.
antifungal activity against Thielaviopsis ethacetica mycelial growth
Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil
Freitas et al. 2022
Eukaryota
Candida Albicans
ATCC MYA-2876, American Type Culture Collection
Costa et al. 2020
Eukaryota
Candida Glabrata
ATCC 90030, American Type Culture Collection
Costa et al. 2020
Eukaryota
Candida Tropicalis
ATCC 750, American Type Culture Collection
Costa et al. 2020
Prokaryota
Staphylococcus Epidermidis
American Type Culture Collection
Jenkins and Bean 2020
Prokaryota
Streptomyces Philanthi
antifungal activity against Aspergillus parasiticus TISTR 3276 and Aspergillus flavus PSRDC-4
NA
Boukaew and Prasertsan 2020
Prokaryota
Coraliitalea Coralii
isolate from the algal Chromera velia CCAP 1602/1
Koteska et al. 2023
Prokaryota
Litoreibacter Sp.
isolate from the algal Chromera velia CCAP 1602/1
Koteska et al. 2023
Prokaryota
Citrobacter Freundii
American Type Culture Collection
Robacker and Bartelt 1997
Prokaryota
Klebsiella Pneumoniae
American Type Culture Collection
Robacker and Bartelt 1997
Eukaryota
Pleurotus Cystidiosus
na
na
Usami et al. 2014
Prokaryota
Streptomyces Sp.
n/a
NA
Schulz and Dickschat 2007
Prokaryota
Klebsiella Sp.
n/a
NA
Schulz and Dickschat 2007
Prokaryota
Streptomyces Sp.
n/a
NA
Dickschat et al. 2005_2
Prokaryota
Serratia Plymuthica
n/a
NA
Weise et al. 2014
Prokaryota
Serratia Proteamaculans
n/a
NA
Weise et al. 2014
Prokaryota
Serratia Marcescens
n/a
NA
Weise et al. 2014
Prokaryota
Serratia Odorifera
n/a
NA
Weise et al. 2014
Prokaryota
Pseudochrobactrum Saccharolyticum
Nematicidal activity
cow dung
XU et al. 2015
Prokaryota
Wautersiella Falsenii
Nematicidal activity
cow dung
XU et al. 2015
Prokaryota
Arthrobacter Nicotianae
Nematicidal activity
cow dung
XU et al. 2015
Prokaryota
Achromobacter Xylosoxidans
Nematicidal activity
cow dung
XU et al. 2015
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Prokaryota
Bacillus Sp.
LB agar
SPME-GC-MS
no
Prokaryota
Klebsiella Pneumoniae
BHI, LB, MHB, TSB
SPME / GCxGC-TOFMS
no
Prokaryota
Pseudomonas Sp.
LB media, DYGS media
HS-SPME/GC-MS
no
Prokaryota
Pseudomonas Sp.
LB media
HS-SPME/GC-MS
no
Eukaryota
Candida Albicans
YGC media
HS-SPME/GC-GC-ToFMS
no
Eukaryota
Candida Glabrata
YGC media
HS-SPME/GC-GC-ToFMS
no
Eukaryota
Candida Tropicalis
YGC media
HS-SPME/GC-GC-ToFMS
no
Prokaryota
Staphylococcus Epidermidis
BHI media
HS-SPME/GC×GC-TOFMS
no
Prokaryota
Streptomyces Philanthi
sterile wheat seeds
GC-MS
no
Prokaryota
Coraliitalea Coralii
marine broth agar
OSSA/GC-MS
no
Prokaryota
Litoreibacter Sp.
marine broth agar
OSSA/GC-MS
no
Prokaryota
Citrobacter Freundii
tryptic soy broth
SPME, GC-MS
yes
Prokaryota
Klebsiella Pneumoniae
tryptic soy broth
SPME, GC-MS
yes
Eukaryota
Pleurotus Cystidiosus
na
GC/MS, GC-O, AEDA
no
Prokaryota
Streptomyces Sp.
n/a
n/a
no
Prokaryota
Klebsiella Sp.
n/a
n/a
no
Prokaryota
Serratia Plymuthica
NBII
Headspace trapping/ GC-MS
no
Prokaryota
Serratia Proteamaculans
NBII
Headspace trapping/ GC-MS
no
Prokaryota
Serratia Marcescens
NBII
Headspace trapping/ GC-MS
no
Prokaryota
Serratia Odorifera
NBII
Headspace trapping/ GC-MS
no
Prokaryota
Pseudochrobactrum Saccharolyticum
LB liquid
SPME-GC/MS
no
Prokaryota
Wautersiella Falsenii
LB liquid
SPME-GC/MS
no
Prokaryota
Arthrobacter Nicotianae
LB liquid
SPME-GC/MS
no
Prokaryota
Achromobacter Xylosoxidans
LB liquid
SPME-GC/MS
no