Benzylideneacetone - ≥98%(GC) , CAS No.122-57-6

CAS: 122-57-6 Cat. No.: P111783 Summenformel: C10H10O Molekulargewicht: 146.19 Beilstein Registry Number: 742047 EG-Nummer: 204-555-1
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QUALITÄT & REINHEIT ≥98%(GC)
Synonyms
ghl.PD_Mitscher_leg0.147|BENZALACETONE [USP IMPURITY]|benzylideneacetone, (E)-isomer|t-PBO|4-Phenyl-(E)-3-Buten-2-one|Methyl beta -STYRYL ketone|Benzylidene acetone (natural)|Benzilidene acetone|1-Phenyl-1-buten-3-one|3-Buten-2-one, 4-phenyl-|4-Phenyl-but-3-en-2-one|4-Phenylbut-3-en-2-one|Benzalaceton|benzylidenacetone|trans-4-Phenyl-3-butene-2-one|(3E)-4-Phenylbut-3-en-2-one (Benzalacetone)|3-Buten-2-one, 4-phenyl-, (3E)-|4-PHENYL-3-BUTEN-2-ONE, TRANS|1-Buten-3-one-1-phenyl|Methyl .beta.-styryl ketone|(3E)-4-Phenylbut-3-en-2-one; Warfarin Sodium Imp. C (EP); Benzalacetone; Warfarin Sodium Impurity C; Warfarin Impurity C|Benzalaceton (german)|4-PHENYL-3-BUTEN-2-ONE [FHFI]|E-4-phenyl-3-buten-2-one|Methyl styryl ketone|trans-Benzylideneacetone|(3E)-4-phenylbut-3-en-2-one|BENZYLIDENEACETONE, (E)-|benzalacetone-d4|3-BUTEN-2-ONE, 4-PHENYL-, (E)-|Benzalaceton [German]|Methyl 2-phenylvinyl ketone|(E)-1-Buten-3-one, 1-phenyl|Benzylideneacetone|(E)-4-Phenyl-3-buten-2-one|(E)-4-Phenyl-but-3-en-2-one|(E)-4-phenylbut-3-en-2-one|trans-Benzalacetone|4-PHENYL-3-BUTEN-2-ONE|cinnamyl methyl ketone|Benzylidene acetone|Methyl trans-styryl ketone|Styryl methyl ketone|trans-4-Phenyl-3-buten-2-one|2-Phenylvinyl methyl ketone|Benzalacetone|trans-Benzylidenacetone|trans-4-phenyl-but-3-en-2-one|trans-4-Phenylbut-3-en-2-one|BENZYLIDENEACETONE [MI]|Ketone, methyl styryl|Methyl beta-styryl ketone|trans-Benzylideneacetone;Benzalacetone|4-Phenylbutenone|Methyl styryl acetone|Benzilideneacetone|(3E)-4-Phenyl-3-buten-2-one|4-Phenyl-3-butene-2-one
Storage
Room temperature
Shipped In
Normal
★
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25g
P111783-25g
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8,59€
100g
P111783-100g
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P111783-500g
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Übersicht

Benzylideneacetone is used in the fragrance industry for its sweet pea-like odor. It is one of the major constituents of Monanthotaxis capea essential oil.[1] Studies suggest that apart from skatole and androstenone, benzylideneacetone may also be one of the volatile compounds, which contributes to the development of boar taint in fat samples

Spezifikationen

Synonyme
ghl.PD_Mitscher_leg0.147 | BENZALACETONE [USP IMPURITY] | benzylideneacetone, (E)-isomer | t-PBO | 4-Phenyl-(E)-3-Buten-2-one | Methyl beta -STYRYL ketone | Benzylidene acetone (natural) | Benzilidene acetone | 1-Phenyl-1-buten-3-one | 3-Buten-2-one, 4-phenyl- | 4-Phenyl-but-3-en-2-one | 4-Phenylbut-3-en-2-one | Benzalaceton | benzylidena Show more
Spezifikationen & Reinheit
≥98%(GC)
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%(GC)
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190856
Kanonisches Lächeln
CC(=O)C=CC1=CC=CC=C1
IUPAC Name
(E)-4-phenylbut-3-en-2-one
InChIKey
BWHOZHOGCMHOBV-BQYQJAHWSA-N
INCHI
1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
Isomere SMILES
CC(=O)/C=C/C1=CC=CC=C1
WGK Deutschland
2
RTECS
EN0330000
UN-Nummer
3077
Molekulargewicht
146.19
Beilstein
742047
Reaxy-Rn
742046
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742046&ln=

Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlasseBenzene and substituted derivatives
SubclassStyrenes
Intermediate Tree Nodes Not available
Direct ParentStyrenes
Alternative Parents Enones  Acryloyl compounds  Ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Styrene - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
External Descriptors benzylideneacetone
3D-Struktur
Interaktives chemisches Strukturmodell





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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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KB (17409 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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Cryz Quinone oxidoreductase (288 Activities)
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Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeDatumArtikel
I2221046I2221046Certificate of AnalysisJul 03, 2026 P111783
C2222413C2222413Certificate of AnalysisJan 19, 2026 P111783
C2222455C2222455Certificate of AnalysisJan 19, 2026 P111783
I2025043I2025043Certificate of AnalysisAug 15, 2024 P111783
K2525525K2525525Certificate of AnalysisJul 23, 2024 P111783
K2525526K2525526Certificate of AnalysisJul 23, 2024 P111783
K2525527K2525527Certificate of AnalysisJul 23, 2024 P111783
K2420580K2420580Certificate of AnalysisMay 06, 2024 P111783
K2422153K2422153Certificate of AnalysisMay 06, 2024 P111783
C2222496C2222496Certificate of AnalysisApr 11, 2022 P111783
Chemische und physikalische Eigenschaften
LöslichkeitSoluble in alcohol, chloroform, diethyl ether.
EmpfindlichkeitLight sensitive.
Brechungsindex1.8536
Flammpunkt (°F)123℃
Flammpunkt (°C)123℃
Siedepunkt (°C)260-262°C
Schmelzpunkt (°C)39-41°C
Molekulargewicht146.190 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass146.073 Da
Monoisotopic Mass146.073 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity152.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
Lösungsrechner
Bewertungen

Kundenbewertungen

Häufig gestellte Fragen

How should this product be stored?
Store at room temperature.
What is the purity of this product, and how is it determined?
This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 122-57-6, the molecular formula is C10H10O, and the molecular weight is 146.19 g/mol. InChIKey BWHOZHOGCMHOBV-BQYQJAHWSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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