Results for:
PubChem ID: 637759

(E)-4-phenylbut-3-en-2-one

Mass-Spectra

Compound Details

Synonymous names
Benzylideneacetone
Benzalacetone
1896-62-4
122-57-6
4-Phenylbut-3-en-2-one
(E)-4-phenylbut-3-en-2-one
Methyl styryl ketone
4-PHENYL-3-BUTEN-2-ONE
Acetocinnamone
trans-Benzylideneacetone
trans-4-Phenyl-3-buten-2-one
Benzylidene acetone
(E)-4-Phenyl-3-buten-2-one
trans-Benzalacetone
Styryl methyl ketone
Methyl trans-styryl ketone
Benzalaceton
4-Phenylbutenone
3-Buten-2-one, 4-phenyl-
Benzilideneacetone
Benzilidene acetone
2-Phenylvinyl methyl ketone
TPBO
trans-Benzylidenacetone
Methyl 2-phenylvinyl ketone
trans-4-Phenyl-3-butene-2-one
Methyl beta-styryl ketone
3-Buten-2-one, 4-phenyl-, (3E)-
Ketone, methyl styryl
trans-4-Phenylbut-3-en-2-one
4-Phenyl-3-butene-2-one
(3E)-4-phenylbut-3-en-2-one
3-BUTEN-2-ONE, 4-PHENYL-, (E)-
(3E)-4-Phenyl-3-buten-2-one
Benzalaceton [German]
FEMA No. 2881
benzalacetone-d4
NSC 5605
BENZ
Methyl styryl acetone
1-Buten-3-one-1-phenyl
Methyl .beta.-styryl ketone
ghl.PD_Mitscher_leg0.147
B03X40BMT5
DTXSID1031626
CHEBI:78399
CHEBI:217301
(3E)-4-Phenylbut-3-en-2-one (Benzalacetone)
(E)-4-Phenyl-but-3-en-2-one
4-Phenyl-but-3-en-2-one
NSC-5605
Benzalaceton (german)
DTXCID305662
fema 2881
CAS-122-57-6
Benzylidene acetone (natural)
CCRIS 5319
t-PBO
EINECS 204-555-1
EINECS 217-587-6
DTXSID4025662
BRN 0742046
BRN 0742047
UNII-B03X40BMT5
benzylidenacetone
AI3-00944
AI3-52291
benzylideneacetone, (E)-isomer
benzylideneacetone, (Z)-isomer
trans-Benzylideneacetone;Benzalacetone
trans-4-phenyl-but-3-en-2-one
(E)-1-Buten-3-one, 1-phenyl
(3E)-4-Phenylbut-3-en-2-one; Warfarin Sodium Imp. C (EP); Benzalacetone; Warfarin Sodium Impurity C; Warfarin Impurity C
cinnamyl methyl ketone
Epitope ID:120383
1-Phenyl-1-buten-3-one
EC 204-555-1
Methyl beta -STYRYL ketone
SCHEMBL76632
2-07-00-00287 (Beilstein Handbook Reference)
4-07-00-01003 (Beilstein Handbook Reference)
E-4-phenyl-3-buten-2-one
MLS002454416
CHEMBL73639
SCHEMBL312972
WLN: 1V1U1R
BENZYLIDENEACETONE [MI]
DTXCID9011626
4-Phenyl-(E)-3-Buten-2-one
AMY6963
BENZYLIDENEACETONE, (E)-
Benzylideneacetone, >=98%, FG
NSC5605
Benzalacetone, analytical standard
HMS2268K18
4-Phenyl-3-buten-2-one, 99%
BENZALACETONE [USP IMPURITY]
Tox21_201502
Tox21_301598
Tox21_303222
MFCD00008779
s9478
STK803195
AKOS000119902
CS-W013311
DS-4780
HY-W012595
4-PHENYL-3-BUTEN-2-ONE, TRANS
NCGC00091356-01
NCGC00091356-02
NCGC00255323-01
NCGC00257166-01
NCGC00259053-01
4-PHENYL-3-BUTEN-2-ONE [FHFI]
LS-13761
SMR001252234
CAS-1896-62-4
trans-4-Phenyl-3-buten-2-one, >=99%
DB-003136
NS00003742
P0163
EN300-18891
D70186
D70528
EN300-366968
WARFARIN SODIUM IMPURITY C [EP IMPURITY]
A804921
A813340
Q4380955
W-107746
W-109036
3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE
3-BUTEN,2-ONE,4-PHENYL (TRANS) BENZALACETONE
F0001-0357
Z2582847786
InChI=1/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7
Microorganism:

Yes

IUPAC name(E)-4-phenylbut-3-en-2-one
SMILESCC(=O)C=CC1=CC=CC=C1
InchiInChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
FormulaC10H10O
PubChem ID637759
Molweight146.19
LogP2.1
Atoms11
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaromatic ketones aromatic compounds benzenoids ketones
CHEBI-ID78399
Supernatural-IDSN0037239-01

mVOC Specific Details

Boiling Point
DegreeReference
262 median
MS-Links
Massbank-Links
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007143
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007378
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007455
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008082
Massbank Spectrum MSBNK-LCSB-LU122401
Massbank Spectrum MSBNK-LCSB-LU122402
Massbank Spectrum MSBNK-LCSB-LU122403
Massbank Spectrum MSBNK-LCSB-LU122404
Massbank Spectrum MSBNK-LCSB-LU122405
Massbank Spectrum MSBNK-LCSB-LU122406
Massbank Spectrum MSBNK-NaToxAq-NA000797
Massbank Spectrum MSBNK-NaToxAq-NA000798
Massbank Spectrum MSBNK-NaToxAq-NA000799
Massbank Spectrum MSBNK-NaToxAq-NA000800
Massbank Spectrum MSBNK-NaToxAq-NA000801
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Massbank Spectrum MSBNK-NaToxAq-NA002045
Massbank Spectrum MSBNK-NaToxAq-NA002046
Massbank Spectrum MSBNK-NaToxAq-NA002047

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes