1-Octen-3-ol - ≥98% , CAS No.3391-86-4

CAS: 3391-86-4 Cat. No.: O102968 Summenformel: C₈H₁₆O Molekulargewicht: 128.21 Beilstein Registry Number: 1744110 EG-Nummer: 222-226-0

GRADE & PURITY ≥98%

Synonyms

1-Octen-3-ol, 98% | CHEBI:34118 | Q-100412 | CAS-3391-86-4 | MOGUCHUN | NSC 87563 | NSC87563 | NSC-87563 | Octen-3-ol | 1-OCTEN-3-OL | 1-Octen-3-ol (natural) | 1-Octen-3-ol stabilized with alpha-tocopherol | 1-Okten-3-ol | AKOS009157412 | n-Oct-1-en-3-ol

Storage

Room temperature

Shipped In

Normal

Übersicht

product description：

1-Octen-3-ol occurs naturally in mushrooms. It is the most prominent odor volatile produced by fungi such as Aspergillus, Penicillium and Fusarium species. 1-Octen-3-ol is also formed in major quantity when soybeans are soaked in water as a pretreatment before soymilk production. It is also a potent mosquito attractant. 1-Octen-3-ol is the major volatile compound formed during autoxidation of linoleic acid.

Specifications

Synonyme

1-Octen-3-ol, 98% | CHEBI:34118 | Q-100412 | CAS-3391-86-4 | MOGUCHUN | NSC 87563 | NSC87563 | NSC-87563 | Octen-3-ol | 1-OCTEN-3-OL | 1-Octen-3-ol (natural) | 1-Octen-3-ol stabilized with alpha-tocopherol | 1-Okten-3-ol | AKOS009157412 | n-Oct-1-en-3-ol

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488182508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182508

Kanonisches Lächeln

CCCCCC(C=C)O

IUPAC Name

oct-1-en-3-ol

InChIKey

VSMOENVRRABVKN-UHFFFAOYSA-N

INCHI

1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3

Isomere SMILES

CCCCCC(C=C)O

WGK Deutschland

3

RTECS

RH3300000

Molekulargewicht

128.21

Beilstein

1744110

Reaxy-Rn

1720733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720733&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: Fatty alcohols

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

• Löslichkeit: Not miscible or difficult to mix in water;Soluble in alcohol
• Brechungsindex: 1.437
• Flammpunkt (°F): 154.4 °F
• Flammpunkt (°C): 68 °C
• Siedepunkt (°C): 84-85°C/25 mmHg
• Schmelzpunkt (°C): -49℃
• Molekulargewicht: 128.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 69.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1