Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
3-phenyl-2-propenoic acid, phenylmethyl ester | NCGC00166124-02 | Benzyl 3-phenylpropenoate | 2-Propenoic acid, 3-phenyl-, phenylmethyl ester, (2E)- | BENZYL CINNAMATE [MART.] | BENZYL CINNAMATE, (E)- | Benzyl cinnamate, >=98% | Benzylester kyseliny skori
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
B420422-1ml
2

47,90US$

69,90US$
Guardar 22,00 US$ (31.47%)
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Specifications

Sinónimos
3-phenyl-2-propenoic acid, phenylmethyl ester | NCGC00166124-02 | Benzyl 3-phenylpropenoate | 2-Propenoic acid, 3-phenyl-, phenylmethyl ester, (2E)- | BENZYL CINNAMATE [MART.] | BENZYL CINNAMATE, (E)- | Benzyl cinnamate, >=98% | Benzylester kyseliny skori
Especificaciones y pureza
10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores
Sonrisas canónicasC1=CC=C(C=C1)COC(=O)C=CC2=CC=CC=C2
IUPAC Namebenzyl (E)-3-phenylprop-2-enoate
InChIKeyNGHOLYJTSCBCGC-VAWYXSNFSA-N
INCHI1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
Isómeros SMILES C1=CC=C(C=C1)COC(=O)/C=C/C2=CC=CC=C2
WGK Alemania 2
RTECS GD8400000
Peso molecular 238.28
Beilstein 2051339
Reaxy-Rn 2051338
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051338&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClaseCinnamic acids and derivatives
SubclassCinnamic acid esters
Intermediate Tree Nodes Not available
Direct ParentCinnamic acid esters
Alternative Parents Benzyloxycarbonyls  Styrenes  Fatty acid esters  Enoate esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Cinnamic acid ester - Benzyloxycarbonyl - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PANC-1 (6144 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Agtr1 Type-1A angiotensin II receptor (520 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
17HSDcl 17-beta-hydroxysteroid-dehydrogenase (43 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dermatophagoides pteronyssinus (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SensibilidadHeat Sensitive
Punto de inflamación (°F)356 °F
Punto de inflamación (°C)180 °C
Punto de ebullición (°C)195-200°C
Punto de fusión (°C)34-37°C
Peso molecular238.280 g/mol
XLogP33.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass238.099 Da
Monoisotopic Mass238.099 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count18
Formal Charge0
Complexity271.000
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
Referencias
1. Yixin Yang, Peige Qin, Xiaoting Zhang, Jiahua Niu, Shufang Tian, Minghua Lu, Jinhua Zhu, Zongwei Cai.  (2017)  Layer-by-layer fabrication of g-C3N4 coating for headspace solid-phase microextraction of food additives followed by gas chromatography-flame ionization detection.  Analytical Methods,  10  (3): (322-329).  [PMID:] [10.1039/C7AY02515G]
2. Rui Xiao, Xiaoting Zhang, Xiaona Zhang, Jiahua Niu, Minghua Lu, Xiuhua Liu, Zongwei Cai.  (2017)  Analysis of flavors and fragrances by HPLC with Fe3O4@GO magnetic nanocomposite as the adsorbent.  TALANTA,      [PMID:28213232] [10.1016/j.talanta.2017.01.065]
Calculadoras de soluciones
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