Grundinformationen
- CAS
67633-95-8- Standard-SMILES
CCCCCCCC(=O)CCO- InChIKey
XDFCZUMLNOYOCH-UHFFFAOYSA-N- Summenformel
- C10H20O2
- Durchschnittliche Molmasse
- 172,26 g/mol
- Monoisotopische Masse
- 172,14632988
Namen und Bezeichner
- Bevorzugter Name
- 1-Hydroxydecan-3-one
- IUPAC
- 1-hydroxydecan-3-one
- Lokaler Name
- 1-Hydroxydecan-3-on
- Englischer Name
- 1-hydroxydecan-3-one
- Summenformel
- C10H20O2
- Molmasse
- 172.26
Namen und Synonyme
1-Hydroxydecan-3-one67633-95-81-Hydroxy-3-decanone3-Decanone, 1-hydroxy-EINECS 266-796-9DTXSID8052352RefChem:433175DTXCID8030924266-796-9Methyl lavender ketonedecan-1-ol-3-one1-hydroxy-decan-3-one
Weitere Namen anzeigen
1-hydroxy-3-decanon1-Hydroxydecan-3-onethyl hydroxyheptyl ketone
SCHEMBL1278378SCHEMBL28589336NS00012410Q67880005
Datenbank-Bezeichner
- CAS
67633-95-8- PubChem CID
- 105510
- DTXSID
DTXSID8052352- EC Number
- 266-796-9
- Nikkaji
- J35.912B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 110
Experimentelle und physikochemische Eigenschaften
Fragrances
Fragrance substance (Methyl lavender ketone) -> IFRA amendment 51
Fragrance Ingredient (3-Decanone, 1-hydroxy) -> IFRA transparency List
Physikochemische Eigenschaften
- Siedepunkt
- 269.6 · 269.6±13.0 °C(Predicted)
- Dichte
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
- Geruch (Odor)
- Sweet-herbaccous, somewhat fungoid or mushroomy odor
- Wasserlöslichkeit
- Insoluble in water
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 2.318 · 2.318 (est)
- EPA chemische Informationen
- 3 · 3-Decanone, 1-hydroxy- (67633-95-8)
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
Warning
H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1169 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Decanone, 1-hydroxy-
3-Decanone, 1-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 3-Decanone, 1-hydroxy-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (99.1%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
IFRA Fragrance Standards
Methyl lavender ketone
Methyl lavender ketone; 2-Nonanone, 3-(hydroxymethyl)-; 3-(Hydroxymethyl)nonan-2-one; Herbal ketone; 2-Acetyl-1-octanol; 1-Hydroxydecan-3-one; 3-Decanone, 1-hydroxy; 1-Hydroxy-3-decanone; Ethyl hydroxyheptyl ketone
IFRA_STD_231.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Decanone, 1-hydroxy-: ACTIVE
Restriction Limits in the Finished Product (%)
0.015 [Products applied to the lips]
0.0044 [Products applied to the axillae]
0.088 [Products applied to the face/body using fingertips]
0.082 [Products related to fine fragrances]
0.021 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.021 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Anwendungen
Verwenden1-Hydroxy-3-decanone is rarely offered as such commercially, but it may occur as part of various reaction mixtures intended for use in soap perfumery as Lavender-reinforcing agents.
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