Cinnamyl propionate - ≥97% , CAS No.103-56-0

CAS: 103-56-0 Cat. No.: C117793 Summenformel: C₁₂H₁₄O₂ Molekulargewicht: 190.24 EG-Nummer: 203-124-5

GRADE & PURITY ≥97%

Synonyms

Cinnamyl propionate [FCC] | [(E)-3-phenylprop-2-enyl] propanoate | 2-Propen-1-ol, 3-phenyl-, propanoate | CAS-103-56-0 | DTXCID4027606 | (2E)-3-Phenylprop-2-en-1-yl propanoate | AI3-02446 | Ethane,1'-sulfinylbis- | NCGC00256831-01 | AKOS015888196 | MFCD00

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Cinnamyl propionate [FCC] | [(E)-3-phenylprop-2-enyl] propanoate | 2-Propen-1-ol, 3-phenyl-, propanoate | CAS-103-56-0 | DTXCID4027606 | (2E)-3-Phenylprop-2-en-1-yl propanoate | AI3-02446 | Ethane,1'-sulfinylbis- | NCGC00256831-01 | AKOS015888196 | MFCD00

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488195409

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195409

Kanonisches Lächeln

CCC(=O)OCC=CC1=CC=CC=C1

IUPAC Name

[(E)-3-phenylprop-2-enyl] propanoate

InChIKey

KGDJMNKPBUNHGY-RMKNXTFCSA-N

INCHI

1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+

Isomere SMILES

CCC(=O)OC/C=C/C1=CC=CC=C1

RTECS

GE2360000

Molekulargewicht

190.24

Reaxy-Rn

2444927

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2444927&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.532-1.540
• Flammpunkt (°C): 100 °C
• Siedepunkt (°C): 289 °C
• Molekulargewicht: 190.240 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099 Da
• Monoisotopic Mass: 190.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 103-56-0, the molecular formula is C12H14O2, and the molecular weight is 190.24 g/mol. InChIKey KGDJMNKPBUNHGY-RMKNXTFCSA-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.