StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
Huagongshe Open Project:[email protected]KI-Anbindung: llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.7.8
  1. Startseite
  2. /Verbindung

Isodecylaldehyde

HCID 14862
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
1321-89-7
Standard-SMILES
CC(C)CCCCCCC=O
InChIKey
WDMOXLRWVGEXJV-UHFFFAOYSA-N
Summenformel
C10H20O
Durchschnittliche Molmasse
156,26 g/mol
Monoisotopische Masse
156,15141526

Überblick

Isodecaldehyde is a colorless liquid with a fruity odor. Floats on water. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
Isodecylaldehyde
IUPAC
8-methylnonanal
Englischer Name
8-Methylnonanal
Summenformel
C10H20O
Molmasse
156.27

Namen und Synonyme

8-MethylnonanalIsodecanal1321-89-7ISODECYLALDEHYDEIsoaldehyde C-10IsodecaldehydeEINECS 215-328-1FEMA 2390HSDB 1988CA4031G8P7ISODECYLALDEHYDE [HSDB]FEMA NO. 4803
Weitere Namen anzeigen
Nonanal, 8-methyl-8-methylnonan-1-al
DTXSID701023804Isoaldehyde C10TRIMETHYLHEPTANALSRefChem:791851Isodecanal, IsodecaldehydeDTXCID3034086DTXSID0061668DTXCID701508121

Datenbank-Bezeichner

CAS
1321-89-7、3085-26-5
PubChem CID
14862
DTXSID
DTXSID701023804
UNII
CA4031G8P7
EC Number
193-570-6、215-328-1
Nikkaji
J42.481A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
7
Schwere Atome
11
Formalladung
0
Komplexität
86,9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aldehydes
OdorPOWERFUL, SWEET ODOR OF FRUIT
TasteSOMEWHAT GREEN FLAVOR
Density · 4 Einträge

0.84 at 59 °F (est.) (USCG, 1999) - Less dense than water; will float

0.8290 /mixed isomers/

DENSITY: 0.8253 @ 20 °C /D-FORM/

0.8227 - 0.8231 (20 °C)

Color/FormCOLORLESS LIQUID
Solubility · 4 Einträge

INSOL IN WATER

SOL IN ALCOHOL

very slightly soluble

Soluble (in ethanol)

Flash Point185 °F (USCG, 1999)
Boiling Point · 3 Einträge

197 °C

BP: 82-84 °C @ 15 MM HG /DL-FORM/

196-197 °C

Vapor Density5.4
Vapor Pressure

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Gefahrenhinweise

Regulatory InformationChemical: Isodecanal
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Health HazardsLow general toxicity. Liquid may irritate eyes and skin. (USCG, 1999)
Hazards SummaryA strong irritant of the skin and respiratory tract; [HSDB]
FDA Requirements · 1 Eintrag

2,6-Dimethyl octanal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

Reactive GroupAldehydes
Reactivity Profile · 1 Eintrag

ISODECALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Air and Water Reactions

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 2 Einträge

Aldehydes are readily oxidized to organic acids, which, in turn, can serve as substrates for fatty acid oxidation pathways and the Krebs cycle. ... Oxidation of aldehydes is catalyzed by aldehyde dehydrogenase, which has been found in the brain, erythrocytes, liver, kidney, heart, and placenta. /Aldehydes/

... The detoxification of aldehydes can be seen to proceed basically via two routes: (1) an oxidation to yield readily metabolized acids; (2) inactivation by reaction with sulfhydryl groups, particularly glutathione. Under conditions that either deplete glutathione levels, or that result in an inhibition of aldehyde dehydrogenase (for example, Antabuse treatment), the acute and chronic effects of aldehyde toxicity might be more fully expressed. /Aldehydes/

Verwendung und Herstellung

Uses · 4 Einträge

Used as a flavor and to make pharmaceuticals, dyes, resins, and isodecanol; [HSDB]

SYNTHETIC FLAVOR

INTERMEDIATE FOR PHARMACEUTICALS, DYES, RESINS /MIXED ISOMERS/

FLAVOR INGREDIENT IN FOOD & BEVERAGES; CHEM INT (UNISOLATED) FOR ISODECANOL

U.S. Exports(1975) No Data
Methods of Manufacturing · 3 Einträge

PASSAGE OF PROPYLENE TRIMER (NONENE) VAPORS OVER COBALT CATALYST IN PRESENCE OF CARBON MONOXIDE & HYDROGEN

D-ISOMER IS PREPARED BY HEATING D-DIHYDROCITRONELLOL & ISOPROPYL ALUMINATE @ 70-100 °C, 14 MM HG &...ADDING CINNAMALDEHYDE @ 140-160 °C; OR BY HYDROGENATION OF CITRONELLAL WITH PALLADIUM OR STRONTIUM CARBONATE IN METHANOL UNDER PRESSURE (3 ATM). /D-FORM/

DL-FORM IS PREPARED BY HYDROGENATION OF CITRAL IN ETHANOL UNDER PRESSURE IN THE PRESENCE OF PALLADIUM & STRONTIUM CARBONATE OR OF PALLADIUM & CALCIUM CARBONATE. /DL-FORM/

Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
· 2 Einträge

1.55 mmHg (USCG, 1999)

0.29 [mmHg]

Refractive Index · 2 Einträge

INDEX OF REFRACTION: 1.4257 @ 20 °C/D; 1.4285 @ 17 °C/D /D-FORM/

1.4256 - 1.4260

Physical Description · 3 Einträge

Isodecaldehyde is a colorless liquid with a fruity odor. Floats on water. (USCG, 1999)

Colorless liquid with a sweet fruity odor; [HSDB]

Colorless, transparent liquid/Sweet aroma of fruit with green notes

Physikochemische Eigenschaften

Siedepunkt
203.5 · 203.5±8.0 °C(Predicted)
Dichte
0.816 · 0.816±0.06 g/cm3(Predicted)
FEMA
4803 · 4803 | 8-METHYLNONANAL
storage temp.
Hygroscopic, Refrigerator, under inert atmosphere
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Oil
Farbe
Clear Colourless
Geruch (Odor)
1 % · at 1.00 % in dipropylene glycol. citrus floral green waxy milky
Geruchsart
citrus
JECFA Number
2239 · 2239
EPA chemische Informationen
8 · Nonanal, 8-methyl- (3085-26-5)
No rapid reaction with air. No rapid reaction with water.
Skin, Eye, and Respiratory IrritationsThe low molecular weight aldehydes, the halogenated aliphatic aldehydes, and the unsaturated aldehydes are particularly irritating. /Aldehydes/

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents: Foam, dry chemical, carbon dioxide (USCG, 1999)
First AidWash eyes and skin with plenty of water for at least 15 min. (USCG, 1999)
Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Personal Protective Equipment (PPE)Protective clothing; chemical goggles. (USCG, 1999)

Toxikologische Informationen

Human Toxicity Excerpts · 2 Einträge

PROBABLY TOXIC; STRONG IRRITANT. /MIXED ISOMERS/

The mucus membranes of the nasal and oral passages and the upper respiratory tract are affected, producing a burning sensation ... bronchial constriction, choking, and coughing. The eyes tear, and a burning sensation is noted on the skin of the face. /Aldehydes/

Regulatorische Informationen

FDA Requirements · 1 Eintrag

2,6-Dimethyl octanal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 Einträge

Isodecanal: INACTIVE

REPORTED USES: NON-ALCOHOLIC BEVERAGES 0.44 PPM; ICE CREAM, ICES, ETC 3.2 PPM; CANDY 1.9 PPM; BAKED GOODS 1.9 PPM.

Anwendungen

VerwendenA flavor compound from orange essence oil.

Anbieter3 Anbieter

爱必信(上海)生物科技有限公司021-38015121-8802 · [email protected]
Chemical sources Association Inc—
Aston Chemical[email protected]

Ergänzende Hinweise

DefinitionMixed isomers.