21573-31-9

Basic information

• Product Name: oct-7-enal
• Synonyms: oct-7-enal;7-Octenal;Einecs 244-449-2
• CAS NO: 21573-31-9
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.19616
• EINECS: 244-449-2
• Mol File: 21573-31-9.mol
• Article Data: 23

Chemical Properties

• Melting Point: 3.5°C (estimate)
• Boiling Point: 184.35°C (estimate)
• Flash Point: 53.7°C
• Appearance: /
• Density: 0.8654 (estimate)
• Vapor Pressure: 1.02mmHg at 25°C
• Refractive Index: 1.4353 (estimate)
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility: 1.27g/L at 20℃
• Stability: Air Sensitive, Light Sensitive
• CAS DataBase Reference: oct-7-enal(CAS DataBase Reference)
• NIST Chemistry Reference: oct-7-enal(21573-31-9)
• EPA Substance Registry System: oct-7-enal(21573-31-9)

Safety Data

• Hazardous Substances Data: 21573-31-9(Hazardous Substances Data)

Usage

General Description

Oct-7-enal, also known as hept-2-enal, is an organic compound classified as an aldehyde. It is a colorless liquid with a strong, pungent odor and is an important intermediate in the production of various chemicals. Oct-7-enal is often used as a flavoring agent in the food industry, adding a characteristic citrus-like aroma to a variety of products. It is also used as a fragrance ingredient in the production of perfumes and other personal care products. Additionally, oct-7-enal has been found to have antimicrobial properties, making it useful in the development of disinfectants and antiseptic products. Due to its versatile applications, oct-7-enal is a valuable chemical in many different industries.

InChI:InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h2,8H,1,3-7H2

Upstream product

• 13175-44-5 oct-7-en-1-ol 
• 696-71-9 cyclooctanol 
• 286-62-4 Cyclooctene oxide 
• 5048-29-3 oct-7-enenitrile 
• 62179-18-4 2,7-octadiene-1-ol 
• 17696-11-6 8-bromooctanoic acid 
• 4900-30-5 nona-1,8-diene 
• 3710-30-3 1,7-Octadiene 
• 52485-73-1 1,2-epoxy-7-octene 
• 139035-30-6 8-nonen-1,2-diol 

Downstream Products

• 13175-44-5 oct-7-en-1-ol 
• 49642-49-1 2-methyl-1-octanal 
• 51651-40-2 nonanedial 
• 900804-17-3 1,1-diallyloxy-7-octene 
• 5048-29-3 oct-7-enenitrile 
• 1390635-60-5 C₂₄H₂₅F₃O₃ 
• 1390635-59-2 C₂₄H₂₅F₃O₃ 
• 66031-49-0 non-1-en-8-yne 
• 1352479-79-8 C₂₁H₂₅NO₂ 
• 1352479-78-7 C₂₂H₂₇NO₂ 
• 1000064-18-5 N-[(S)-carboxy(cyclohexyl)methyl]oct-7-en-1-aminium trifluoroacetate 
• 111-87-5 octanol 
• 82223-49-2 1-amino-7-octene 
• 334-20-3 (E)-9-oxo-dec-2-enoic acid 

Relevant articles and documents

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Fluorinated Musk Fragrances: The CF2Group as a Conformational Bias Influencing the Odour of Civetone and (R)-Muscone

The difluoromethylene (CF2) group has a strong tendency to adopt corner over edge locations in aliphatic macrocycles. In this study, the CF2group has been introduced into musk relevant macrocyclic ketones. Nine civetone and five muscone analogues have been prepared by synthesis for structure and odour comparisons. X-ray studies indeed show that the CF2groups influence ring structure and they give some insight into the preferred ring conformations, triggering a musk odour as determined in a professional perfumery environment. The historical conformational model of Bersuker and co-workers for musk fragrance generally holds, and structures that become distorted from this consensus, by the particular placement of the CF2groups, lose their musk fragrance and become less pleasant.

The difluoromethylene (CF2) group in aliphatic chains: Synthesis and conformational preference of palmitic acids and nonadecane containing CF2 groups

The syntheses of palmitic acids and a nonadecane are reported with CF 2 groups located 1,3 or 1,4 to each other along the aliphatic chain. Specifically 8,8,10,10- and 8,8,11,11-tetrafluorohexadecanoic acids (6b and 6c) are prepared as well as the singly modified analogue 8,8-difluorohexadecanoic acid (6a). Also 8,8,11,11-tetrafluorononadecane (27) is prepared as a pure hydrocarbon containing a 1,4-di-CF2 motif. The modified palmitic acids are characterized by differential scanning calorimetry (DSC) to determine melting points and phase behaviour relative to palmitic acid (62.5 °C). It emerges that 6c, with the CF2 groups placed 1,4- to each other, has a significantly higher melting point (89.9 °C) when compared to the other analogues and palmitic acid itself. It is a crystalline compound and the structure reveals an extended anti-zig-zag chain. Similarly 8,8,11,11- tetrafluorononadecane (27) adopts an extended anti-zig-zag structure. This is rationalized by dipolar relaxation between the two CF2 groups placed 1,4 to each other in the extended anti-zig-zag chain and suggests a design modification for long chain aliphatics which can introduce conformational stability.