Grundinformationen
- CAS
1754-00-3- Standard-SMILES
CC(C)=CCC=C(C)CC=O- InChIKey
OJLMARCQPSGYNE-UHFFFAOYSA-N- Summenformel
- C10H16O
- Durchschnittliche Molmasse
- 152,23 g/mol
- Monoisotopische Masse
- 152,12011513
Überblick
3,7-dimethyl-3,6-octadienal has been reported in Artemisia annua with data available.
Namen und Bezeichner
- Bevorzugter Name
- 3,6-Octadienal, 3,7-dimethyl-
- IUPAC
- 3,7-dimethylocta-3,6-dienal
- Lokaler Name
- 3,7-Dimethyl-3,6-octadienal
- Englischer Name
- 3,7-dimethyl-3,6-octadienal
- Summenformel
- C10H16O
- Molmasse
- 152.23
Namen und Synonyme
3,7-dimethylocta-3,6-dienal3,7-Dimethyl-3,6-octadienal55722-59-3EINECS 259-777-1DTXSID5069045RefChem:487635DTXCID3041956259-777-13,6-Octadienal, 3,7-dimethyl-SCHEMBL228319OJLMARCQPSGYNE-UHFFFAOYSA-NDB-240813
Weitere Namen anzeigen
Isocitral
NS00087337
Datenbank-Bezeichner
- CAS
1754-00-3、55722-59-3- PubChem CID
- 108355
- DTXSID
DTXSID5069045- EC Number
- 259-777-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 171
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (3,7-Dimethyl-3,6-octadienal) -> IFRA transparency List
Physikochemische Eigenschaften
- Siedepunkt
- 220.2 · 220.2±9.0 °C(Predicted)
- Dichte
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 2.867 · 2.867 (est)
- EPA chemische Informationen
- 3 · 3,6-Octadienal, 3,7-dimethyl- (55722-59-3)
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 (12.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: 3,6-Octadienal, 3,7-dimethyl-
Other Safety InformationIMAP assessments - 3,6-Octadienal, 3,7-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (12.4%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
IFRA Fragrance Standards
3,7-Dimethyl-3,6-octadienal
3,6-Octadienal, 3,7-dimethyl-; 3,7-Dimethylocta-3,6-dienal; (E)-3,7-Dimethyl-3,6-octadienal; (Z)-3,7-Dimethyl-3,6-octadienal; Isocitral (Commercial name); Isogeranial (Commercial name); Isoneral (Commercial name)
IFRA_STD_205.pdf
49
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
Household ProductsInformation on 1 consumer products that contain 3,7-Dimethyl-3,6-Octadienal in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information3,6-Octadienal, 3,7-dimethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.54 [Products applied to the lips]
0.16 [Products applied to the axillae]
0.03 [Products applied to the face/body using fingertips]
3 [Products related to fine fragrances]
0.76 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Anbieter1 Anbieter
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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