trans-2-Octenoic Acid - 10mM in DMSO , CAS No.1871-67-6

CAS: 1871-67-6 Cat. No.: T422289 Formula: C₈H₁₄O₂ Peso molecolare: 142.2 Numero EC: 217-491-4

QUALITÀ & PUREZZA 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528770551

Sorrisi canonici

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+

Isomeri SMILES

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

Peso molecolare

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
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Obiettivi associati (non umani)

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: light & air sensitive
• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 140°C(lit.)
• Punto di infiammabilità (°C): 140°C
• Punto di ebollizione (°C): 143°C/15mmHg(lit.)
• Punto di fusione (°C): 5-6 °C
• Peso molecolare: 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