Results for:
Species: Arthrobacter globiformis

2-phenylacetaldehyde

Mass-Spectra

Compound Details

Synonymous names
Benzylcarboxaldehyde
Benzenacetaldehyde
Benzeneacetaldehyde
phenylacetaldehyde
Phenylacetoaldehyde
Benzacetaldehyde
Phenacetaldehyde
alpha-Phenylacetaldehyde
benzeneethanal
Oxophenylethane
Phenylacetic aldehyde
Phenylethanal
a-Phenylacetaldehyde
Hyacinthin
phenyl acetaldehyde
phenyl acetoaldehyde
phenyl-Acetaldehyde
alpha-Tolualdehyde
alpha-Tolyaldehyde
DTUQWGWMVIHBKE-UHFFFAOYSA-N
PHENYLACETALDEHYDE, MONOMER
2-phenylacetaldehyde
a-Tolualdehyde
a-Tolyaldehyde
alpha-Toluic aldehyde
2-Phenylethanal
Phenylacetaldehyde (natural)
2-phenyl-acetaldehyde
a-toluic aldehyde
AC1Q6QIR
AC1Q6QJB
HY1
Phenylacetaldehyde, >=90%
Acetaldehyde, phenyl-
U8J5PLW9MR
.alpha.-Tolualdehyde
AC1L1AI5
UNII-U8J5PLW9MR
KSC174S9R
.alpha.-Toluic aldehyde
ACMC-209uaw
PubChem19675
SCHEMBL18972
CTK0H4998
HMDB06236
P0119
1-Oxo-2-phenylethane
DB02178
Phenylacetaldehyde solution, technical, ~50% in diethyl phthalate
RP19376
bmse000427
C00601
ZINC895323
AK159198
BC250050
CHEMBL1233464
DTXSID3021483
Jsp001532
LS-3037
NSC406309
OR025047
OR209763
OR244402
SBB061710
ZB015022
A804962
CHEBI:16424
DSSTox_CID_1483
AJ-24176
AN-22889
ANW-43542
DSSTox_GSID_21483
SC-19014
TRA0034790
DSSTox_RID_76177
MFCD00006993
ZINC00895323
AI3-02175
DB-041686
NCIOpen2_003602
NSC 406309
NSC-406309
Phenylacetaldehyde, >=95%, FCC, FG
RTR-003630
ST24041010
ST51047695
TR-003630
Acetaldehyde, phenyl- (8CI)
AKOS000119316
I01-0480
Q-201558
FEMA No. 2974
Tox21_201582
Tox21_302945
122-78-1
F2190-0653
ETHYL, 1-OXO-2-PHENYL-
MCULE-3725701027
NCGC00249076-01
NCGC00256522-01
NCGC00259131-01
CAS-122-78-1
EINECS 204-574-5
MolPort-001-780-108
11967-EP2272517A1
11967-EP2287159A1
11967-EP2301534A1
11967-EP2305671A1
11967-EP2308848A1
11967-EP2311451A1
11967-EP2311840A1
11967-EP2316450A1
11967-EP2374783A1
11967-EP2377841A1
Phenylacetaldehyde solution, natural, 10 wt. % in ethanol, FG
D60A2590-0A65-4BA8-A05B-D8423408535C
InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H
Microorganism:

Yes

IUPAC name2-phenylacetaldehyde
SMILESC1=CC=C(C=C1)CC=O
InchiInChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
FormulaC8H8O
PubChem ID998
Molweight120.151
LogP1.45
Atoms17
Bonds17
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationBenzenoids Aldehydes

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Aspergillus Sp.Seifert and Kling 1982
Fungi Botrytis Sp.Kikuchi et al. 1983
Fungi Fusarium Sp.Takeuchi et al. 2012
Fungi Ganoderma ApplanatumZiegenbein et al 2010
FungiTuber IndicumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
FungiTuber MelanosporumNoneT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
BacteriaBacillus SimplexReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus SubtilisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaBacillus WeihenstephanensisReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaMicrobacterium OxydansReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaSerratia MarcescensReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStenotrophomonas MaltophiliaReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaStreptomyces LateritiusReduction of movement or death of Panagrelleus redivivus and Bursaphelenchus xylophilus.Gu et al., 2007
BacteriaAlcaligenes FaecalisInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaArthrobacter Globiformisn/aSchulz and Dickschat, 2007
BacteriaArthrobacter NitroguajacoliusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBacillus Spp.Inhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaBurkholderia Graminis LMG 18924n/aBlom et al., 2011
BacteriaLactococcus Sp.n/aSchulz and Dickschat, 2007
BacteriaLysobacter GummosusInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaSporosarcina GinsengisoliInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
BacteriaStaphylococcus Aureusn/aJia et al., 2010
BacteriaStaphylococcus Xylosusn/aSchulz and Dickschat, 2007
BacteriaStenotrophomonas MaltophiliaInhibition of Mycelium growth of Paecilomyces lilacinus and Pochonia chlamydosporia.Zou et al., 2007
FungiFomitopsis PinicolanaGermanyRösecke et al., 2000
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
FungiTrametes Suaveolensnanear Zachersmühle, Göppingen, southern GermanyRösecke et al., 2000
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Aspergillus Sp.no
Fungi Botrytis Sp.no
Fungi Fusarium Sp.no
Fungi Ganoderma Applanatumno
FungiTuber IndicumNoneNoneYes
FungiTuber MelanosporumNoneNoneYes
BacteriaBacillus Simplexn/an/a
BacteriaBacillus Subtilisn/an/a
BacteriaBacillus Weihenstephanensisn/an/a
BacteriaMicrobacterium Oxydansn/an/a
BacteriaSerratia Marcescensn/an/a
BacteriaStenotrophomonas Maltophilian/an/a
BacteriaStreptomyces Lateritiusn/an/a
BacteriaAlcaligenes Faecalisn/an/a
BacteriaArthrobacter Globiformisn/an/a
BacteriaArthrobacter Nitroguajacoliusn/an/a
BacteriaBacillus Spp.n/an/a
BacteriaBurkholderia Graminis LMG 18924MS Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaLactococcus Sp.n/an/a
BacteriaLysobacter Gummosusn/an/a
BacteriaSporosarcina Ginsengisolin/an/a
BacteriaStaphylococcus AureusMueller Hinton brothHS-SPME/GC-MS
BacteriaStaphylococcus Xylosusn/an/a
FungiFomitopsis PinicolanaGC/MSNo
FungiGanoderma LucidumnaGC/MSNo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiSpongiporus LeucomallellusnaGC/MSNo
FungiTrametes SuaveolensnaGC/MSNo
FungiTuber Aestivumn/an/a
FungiTuber Melanosporumn/an/a


2-phenylethanamine

Mass-Spectra

Compound Details

Synonymous names
Benzeneethanamine
phenylethylamine
Phenethylamine
phenethylarnine
beta-Aminoethylbenzene
beta-Phenylaethylamin
beta-phenylethylamine
Dextroamphetamine sulfate salt
omega-Phenylethylamine
phenethylamin
b-aminoethylbenzene
beta Phenethylamine
beta-Phenethylamine
PHENETHYLAMINE, HYDROCHLORIDE
b-phenylaethylamin
b-phenylethylamine
benzylmethyl amine
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phenylethyl amine
.beta.-Phenylathylaminhydrochlorid
b-phenethylamine
N-phenethylamine
phenethyl amine
phenethyl-amine
2-Aminoethylbenzene
2-Phenylethanamine
2-phenylethaneamine
2-phenylethylamine
3-AMINOETHYLBENZENE
PHEA
2-Fenylethylamin
2-Phenethylamine
DL-BENZEDRINE SULFATE
N-Benzylmethyl-amine
PHENETHYLAMINE, BETA
.beta.-Phenylethylamine hydrochloride
14C-phenylethylamine
.beta.-Phenethylamine hydrochloride
1tnj
1utm
1uto
AC1L1AIE
D-Amphetamine sulfate salt
.beta.-Aminoethylbenzene
.beta.-Phenylaethylamin
.beta.-Phenylethylamine
.omega.-Phenylethylamine
2-Phenethylamine, analytical standard
2-phenyl ethylamine
2-phenyl-Ethanamine
2-phenyl-ethylamine
2-Phenylethanamine #
2-Phenylethyl amine
.beta.-Phenethylamine
2-Amino-fenylethan
beta-phenylaethylamin (german)
beta-Phenylaethylamin [German]
CHEMBL610
Polystyrene A-NH2
SCHEMBL968
(2-Aminoethyl)polystyrene
2-Phenethylamine, liquid
AC1Q54BB
Phenethylamine, >=99%
ACMC-1ATT1
b-phenylaethylamin (german)
C8H11N
Phenethylamine, 99%
(2-Aminoethyl)benzene
(2-phenylethyl)amine
2-(aminoethyl)benzene
2-(phenyl)ethylamine
AC1Q54D9
GTPL2144
KSC353A6F
Phenethylamine, .beta.
PubChem21080
(+)-alpha-Methylphenethylamine hemisulfate salt
1-Amino-2-phenylethane
1-Phenyl-2-aminoethane
2-Amino-1-phenylethane
2-Phenylethan-1-Amine
327C7L2BXQ
BDBM10758
CTK2F3062
HMDB12275
P0085
WLN: Z2R
2-Fenylethylamin [Czech]
ACT01135
AS00484
EBD27214
LS10634
NSC10811
RL04441
RP19436
SCHEMBL330324
(+)-A-METHYLPHENETHYLAMINE HEMISULFATE SALT
(+)-alpha-Methylphenethylamine sulfate salt
bmse000377
C05332
Ethanamine, 2-phenyl-
Ethylamine, 2-phenyl-
FEMA 3220
HMS2267J14
HSDB 3526
UNII-327C7L2BXQ
DNC012267
DTXSID5058773
LS-3025
OR033956
OR176651
OR195879
OR253104
SBB058801
STL264196
1-Phenyl-2-amino-athan
2-Amino-fenylethan [Czech]
AURORA KA-7805
CHEBI:18397
ZINC6579654
AJ-61320
AK-44044
AN-23735
ANW-34793
BR-44044
KB-47544
LABOTEST-BB LTBB000487
NSC 10811
NSC-10811
PARAGOS 510015
SC-18356
MFCD00008184
Phenethylamine, purified by redistillation, >=99.5%
RARECHEM AL BW 0047
AI3-03117
DB-002852
RTR-000856
ST24032521
ST45255355
TR-000856
TX-016680
AKOS000119084
I01-0392
Q-201553
BRN 0507488
FEMA No. 3220
MLS001066395
MLS001075768
SMR000471837
(+/-)-ALPHA-METHYLPHENETHYLAMINE SULFATE SALT
64-04-0
LABOTEST-BB LT03331710
AZ0001-0092
OTAVA-BB 1038619
Phenethyl-1,2-13C2-amine
F2190-0396
1-Phenyl-2-amino-athan (GERMAN)
1-Phenyl-2-amino-athan [German]
MCULE-5305816256
NCGC00163366-01
2-phenylethanamine (ACD/Name 4.0)
2-phenylethylamine (ACD/Name 4.0)
EINECS 200-574-4
843-EP2272972A1
843-EP2272973A1
843-EP2277872A1
843-EP2281818A1
843-EP2284157A1
843-EP2284174A1
843-EP2292619A1
843-EP2295439A1
843-EP2305260A1
843-EP2308510A1
843-EP2308562A2
843-EP2371811A2
156-28-5 (hydrochloride)
MolPort-000-871-498
12463-EP2280001A1
12463-EP2314571A2
12463-EP2316826A1
21691-EP2284174A1
21691-EP2314571A2
79541-EP2305695A2
79541-EP2305696A2
79541-EP2305697A2
79541-EP2305698A2
71750-39-5 (sulfate)
Polystyrene A-NH2, extent of labeling: 0.8-1.2 mmol/g loading
5471-08-9 (sulfate[2:1])
60BC7032-7CEC-4B97-B365-EA6E475E6E3C
InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H
Microorganism:

Yes

IUPAC name2-phenylethanamine
SMILESC1=CC=C(C=C1)CCN
InchiInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
FormulaC8H11N
PubChem ID1001
Molweight121.183
LogP1.39
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Amines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
197.5 °CPhysProp
194.5-195 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Volatilization
The Henry's Law constant for 2-phenylethylamine is estimated as 8.1X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-phenylethylamine expected to volatilize slowly from water surfaces(2). Based on this estimated 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 50 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 365 days(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
Sol in water; freely sol in alc, ether
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Soil Adsorption
The soil/water distribution coefficient (Kd) for 2-phenylethylamine was experimentally determined to be 2.1 in a silty-clay loam soil with an organic carbon content of 1.7%(1), which corresponds to a Koc value of 120(SRC). According to a classification scheme(2), this Koc value suggests that 2-phenylethylamine is expected to have high mobility in soil. The pKa of 2-phenylethylamine is 9.83(3), indicating that this compound will primarily exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(4); however, aliphatic cations are more weakly sorbed than those associated with aromatic ring systems(1).
Literature: (1) Nicholls PH; Organic Contaminants in the Environment. Jones KC, ed. Essex, England: Elsevier Sci Publ Ltd, Chpt 3, p. 95 (1991) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Lide DR, ed; CRC Handbook of Chemistry and Physics, 81st Ed. Boca Raton, FL: CRC Press LLC, p. 8-52 (2000) (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)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Globiformisn/aSchulz and Dickschat, 2007
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Globiformisn/an/a
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno