Results for:
Species: Azoarcus evansii

2-phenylacetic Acid

Mass-Spectra

Compound Details

Synonymous names
Phenylacetic acid_GurudeebanSatyavani
Benzeneacetate
Phenylethanoate
Benzylcarboxylic acid
phenylacetate
Benzeneacetiic acid
Kyselina fenyloctova
omega-Phenylacetate
Phenylethanoic acid
Benzenacetic acid
Benzeneacetic acid
Benzylformic acid
PHENYLACETIC ACID
Phenyllacetic acid
WLJVXDMOQOGPHL-UHFFFAOYSA-N
w-Phenylacetate
alpha-Toluate
omega-Phenylacetic acid
Phenylacetic acid, analytical standard
a-Toluate
organic white solid
PHENYL ACETIC ACID
PHENYL-ACETIC ACID
Phenylacetate, XIX
w-Phenylacetic acid
alpha-Toluic acid
2-Phenylacetic acid
a-Toluic acid
METHYL, CARBOXYPHENYL-
AC1L1AI8
Kyselina fenyloctova [Czech]
CHEMBL1044
Phenylacetic acid (natural)
Phenylacetic acid, plant cell culture tested
SCHEMBL1459
.omega.-Phenylacetic acid
2-phenyl-acetic acid
AC1Q74Z6
Acetic acid, phenyl-
BDBM16419
CTK0H5030
ER5I1W795A
HMDB00209
Phenylacetic acid, 99%
.alpha.-Toluic acid
DB09269
bmse000220
C07086
HSDB 5010
UNII-ER5I1W795A
ZINC388462
BT000138
DL-0063
DTXSID2021656
LS-3041
NSC125718
NSC139637
OR195993
OR200640
OR288299
Phenylacetic acid, natural, >=99%
SBB058199
STK297835
CHEBI:30745
DSSTox_CID_1656
AB1003238
AJ-20636
AN-24656
AN-43174
BP-11383
DSSTox_GSID_21656
Tropicamide Related Compound D, United States Pharmacopeia (USP) Reference Standard
DSSTox_RID_76268
MFCD00004313
MFCD00037803
AI3-08920
DB-003759
NSC 125718
NSC-125718
NSC-139637
RTC-020466
ST45061317
AKOS000291351
Epitope ID:116202
I14-7335
BRN 1099647
FEMA No. 2878
FT-0660048
PHENYL(ACETIC ACID-1-13C)
Phenylacetic acid, natural, >=99%, FG
NCI60_000596
NCI60_002571
Tox21_113042
Tox21_200533
103-82-2
Phenylacetic acid, >=99%, FCC, FG
MCULE-6701370784
NCGC00159477-02
NCGC00159477-03
NCGC00159477-05
NCGC00258087-01
CAS-103-82-2
EINECS 203-148-6
Tox21_113042_1
MolPort-001-002-105
114-70-5 (hydrochloride salt)
Tropicamide impurity D (Phenylacetic acid - Drug Precursor), European Pharmacopoeia (EP) Reference Standard
28028-EP2269988A2
28028-EP2270006A1
28028-EP2270008A1
28028-EP2272839A1
28028-EP2272840A1
28028-EP2275403A1
28028-EP2275413A1
28028-EP2287156A1
28028-EP2292617A1
28028-EP2295433A2
28028-EP2301940A1
28028-EP2305250A1
28028-EP2305260A1
28028-EP2305658A1
28028-EP2308833A2
28028-EP2308848A1
28028-EP2311807A1
28028-EP2311809A1
28028-EP2311825A1
28028-EP2314588A1
79377-EP2298766A1
79377-EP2305695A2
79377-EP2305696A2
79377-EP2305697A2
79377-EP2305698A2
7188-16-1 (ammonium salt)
13005-36-2 (potassium salt)
52009-49-1 (calcium salt)
4-09-00-01614 (Beilstein Handbook Reference)
8727557E-AA75-49E9-8E5A-7A2412D71888
InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10
IUPAC name2-phenylacetic acid
SMILESC1=CC=C(C=C1)CC(=O)O
InchiInChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
FormulaC8H8O2
PubChem ID999
Molweight136.15
LogP1.61
Atoms18
Bonds18
H-bond Acceptor2
H-bond Donor1
Chemical ClassificationBenzenoids Acids carboxylic acids

mVOC Specific Details

Volatilization
A pKa of 4.31(1) indicates phenylacetic acid will exist almost entirely in the anion form at pH values of 5 to 9(2) and therefore volatilization from water surfaces is not expected to be an important fate process. Phenylacetic acid is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3).
Literature: (1) Dean JA; Lange's Handbook of Chemistry 13th ed NY, NY: McGraw-Hill, Inc p. 5-53 (1985) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Perry RH, Green D; Perry's Chemical Engineer's Handbook 6th ed NY, NY: McGraw-Hill, Inc p. 3-59 (1984)
Soil Adsorption
Koc values of 31, 26, and 28 were experimentally determined for phenylacetic acid in three specific soils: a Podzol (pH = 2.8, sand = 89.2%, silt = 8.2%, and clay = 2.6%), an alfisol (pH = 6.7, sand = 69.7%, silt = 14.4%, and clay = 15.9%) and sediment from Lake Constance (pH = 7.1, sand = 5.5%, silt = 58.8%, and clay = 35.7%), respectively(1). According to a recommended classification scheme(2), these Koc values suggest that phenylacetic acid is expected to have very high mobility in soil(SRC). The pKa of phenylacetic acid is 4.31(3), indicating that this compound will primarily exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Literature: (1) von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Dean JA; Lange's Handbook of Chemistry 13th ed NY, NY: McGraw-Hill, Inc p. 5-53 (1985) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
3.8X10-3 mm Hg at 25 deg C (extrapolated)Perry RH, Green D; Perry's Chemical Engineer's Handbook 6th ed New York, NY: McGraw-Hill, Inc p. 3-59 (1984)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Polyporus SulfureusWu et al. 2005
BacteriaAzoarcus Evansiin/aSchulz and Dickschat, 2007
BacteriaPseudomonas Putidan/aSchulz and Dickschat, 2007
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Polyporus Sulfureusno
BacteriaAzoarcus Evansiin/an/a
BacteriaPseudomonas Putidan/an/a
BacteriaStaphylococcus Xylosusn/an/a


Cyclohepta-2,4,6-trien-1-one

Mass-Spectra

Compound Details

Synonymous names
Cycloheptatrienone
QVWDCTQRORVHHT-UHFFFAOYSA-N
Tropone
Tropon
CO48X7SUFH
AC1L1W5B
UNII-CO48X7SUFH
Tropone, 97%
SCHEMBL316824
SBB057378
OR281032
OR028099
ZINC2034873
A829875
KB-62182
FCH1115317
DTXSID60202169
CJ-31945
ZINC02034873
MFCD00014331
C-51753
ST50998275
AKOS024365345
S14-1147
FT-0632343
2,4,6-CYCLOHEPTATRIEN-1-ONE
2,4,6-Cycloheptatriene-1-one
1-cyclohepta-2,4,6-trienone
539-80-0
MCULE-5628531135
cyclohepta-2,4,6-trien-1-one
EINECS 208-725-6
MolPort-003-928-616
InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6
IUPAC namecyclohepta-2,4,6-trien-1-one
SMILESC1=CC=CC(=O)C=C1
InchiInChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H
FormulaC7H6O
PubChem ID10881
Molweight106.124
LogP1.33
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationAlkenes Ketones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Agilis UMCV2narhizosphere of maize plantsVelázquez-Becerra et al.,2011
BacteriaAzoarcus Evansiin/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Agilis UMCV2LB mediumSPME-GC/MSNo
BacteriaAzoarcus Evansiin/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a