trans-2-Octenoic Acid - ≥95% , CAS No.1871-67-6

CAS: 1871-67-6 Cat. No.: T162199 Summenformel: C₈H₁₄O₂ Molekulargewicht: 142.2 EG-Nummer: 217-491-4

GRADE & PURITY ≥95%

Synonyms

2-Octenoic acid, 85% | (2E)-2-Octenoic acid | bmse000616 | C8:1n-6 | FEMA NO. 3957 | A902952 | EN300-805053 | Q27159230 | (2E)-oct-2-enoic acid | LMFA01030018 | HY-W046906 | (E)-2-Octenoate | EINECS 216-001-6 | trans-2-Octenoate | 2-Octenoic acid | 2-Octe

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

2-Octenoic acid, 85% | (2E)-2-Octenoic acid | bmse000616 | C8:1n-6 | FEMA NO. 3957 | A902952 | EN300-805053 | Q27159230 | (2E)-oct-2-enoic acid | LMFA01030018 | HY-W046906 | (E)-2-Octenoate | EINECS 216-001-6 | trans-2-Octenoate | 2-Octenoic acid | 2-Octe

Spezifikationen & Reinheit

≥95%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488195266

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195266

Kanonisches Lächeln

CCCCCC=CC(=O)O

IUPAC Name

(E)-oct-2-enoic acid

InChIKey

CWMPPVPFLSZGCY-VOTSOKGWSA-N

INCHI

1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+

Isomere SMILES

CCCCC/C=C/C(=O)O

Molekulargewicht

142.2

Reaxy-Rn

1747335

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747335&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Unsaturated fatty acids

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

Zugehörige Ziele (menschlich)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light & air sensitive
• Brechungsindex: 1.46
• Flammpunkt (°F): 140°C(lit.)
• Flammpunkt (°C): 140°C
• Siedepunkt (°C): 143°C/15mmHg(lit.)
• Schmelzpunkt (°C): 5-6 °C
• Molekulargewicht: 142.200 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1871-67-6, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey CWMPPVPFLSZGCY-VOTSOKGWSA-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.