2-Methyloctanal
Grundinformationen
- CAS
7786-29-0- Standard-SMILES
CCCCCCC(C)C=O- InChIKey
ZKPFRIDJMMOODR-UHFFFAOYSA-N- Summenformel
- C9H18O
- Durchschnittliche Molmasse
- 142,24 g/mol
- Monoisotopische Masse
- 142,13576519
Überblick
2-Methyloctanal is a saturated fatty aldehyde and a 2-methyl-branched fatty aldehyde.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyloctanal
- IUPAC
- 2-methyloctanal
- Lokaler Name
- 2-Methyloctanal
- Englischer Name
- 2-Methyl octanal
- Summenformel
- C9H18O
- Molmasse
- 142.24
Namen und Synonyme
2-Methyloctanal2-Methyloctanaldehydealpha-MethyloctanalMethyl hexyl acetaldehydeOCTANAL, 2-METHYL-MethylhexylacetaldehydeFEMA No. 2727EINECS 232-093-0UNII-L193398KLNL193398KLN.ALPHA.-METHYLOCTANAL2-METHYLOCTANAL [FHFI]
Weitere Namen anzeigen
2-methyl-octana2-Methyloctanal?NewMETHYLHEXYLACETALDEHYD
DTXSID2052528RefChem:88351(+-)-2-METHYLOCTANALDTXCID3031101232-093-07786-29-02-METHYL OCTANALFEMA 2727
Datenbank-Bezeichner
- CAS
7786-29-0- PubChem CID
- 24583
- DTXSID
DTXSID2052528- ChEBI
CHEBI:179603- UNII
- L193398KLN
- EC Number
- 232-093-0
- Nikkaji
- J65.643G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 78,8
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (2-Methyloctanal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.841 (0 °C)
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol and most fixed oils; insoluble in water
(in ethanol)
Boiling Point
82.00 to 83.00 °C. @ 20.00 mm Hg
82-83 °C (20 mm Hg)
Refractive Index1.423 (14 °C)
Physical Descriptioncolourless, oily liquid with a rose, lily-like odour
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (11 of 1375) of reports.
Warning
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1375 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Octanal, 2-methyl-
Octanal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octanal, 2-methyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (99.2%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationOctanal, 2-methyl-: ACTIVE
Anwendungen
Beschreibung2-Methyloctanal has a delicate, floral odor (rose- or lily-like). Prepared by heating methoxymethyl hexyl carbinol with oxalic acid or with anhydrous formic acid; also from hexanal and propionic aldehyde, Darzen’s synthesis of reacting methyl hexyl ketone and ethyl chloroacetate with sodium ethylate; the resulting ester is then hydrolyzed to the acid and this heated under vacuum.
VerwendenIn effect more versatile than Methyl nonyl acetaldehyde, 2-methyloctanal creates floral-diffusive topnotes in a Lily or Muguet, freshness in Mimosa or Rose, gives clean and airy topnotes to Citrus fragrances, etc. It finds some use in flavor compositions, mainly in Citrus types where it may partly or wholly substitute the conventional Nonanal. Concentration used is about 1 to 2 ppm in the finished product.
Anbieter20 Anbieter
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