alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
Grundinformationen
- CAS
72059-10-0- Standard-SMILES
CC(C)=CCCC(C)(O)C1CC=C(C)CC1- InChIKey
RGZSQWQPBWRIAQ-UHFFFAOYSA-N- Summenformel
- C15H26O
- Durchschnittliche Molmasse
- 222,37 g/mol
- Monoisotopische Masse
- 222,19836545
Überblick
Alpha-Bisabolol is a sesquiterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
- IUPAC
- 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
Namen und Synonyme
72691-24-8RefChem:555014alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanolalpha-Bisabolol6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ola-Bisabolol72059-10-06-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol(+/-)-alpha-BisabololEINECS 276-310-7DragosantolMFCD00129082
Weitere Namen anzeigen
(R*,S*)-(1)-alpha,4-Dimethyl-alpha-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanolCamilol3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (.alpha.R,1R)-rel-6-methyl-2-(4-methylcyclohex-3-enyl)hept-5-en-2-olHydagen Bdl-.alpha.-Bisabololepi-.alpha.-Bisabolol6-epi-.alpha.-Bisabolol
Datenbank-Bezeichner
- CAS
72059-10-0、72691-24-8- PubChem CID
- 10586
- DTXSID
DTXSID80859437- ChEBI
CHEBI:167422- EC Number
- 276-310-7、815-521-6
- Nikkaji
- J11.464B、J19.739D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 284
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (3-_Cyclohexene-_1-_methanol, _,_4-_dimethyl-__-_(4-_methyl-_3-_penten-_1-_yl)_-) -> IFRA transparency List
Density0.922-0.931
Solubility
Practically insoluble or insoluble in water
Slightly soluble (in ethanol)
Boiling Point151-152 °C (12 mmHg)
Refractive Index1.491-1.500
Physical DescriptionClear colourless liquid; Fruity nutty aroma with hints of coconut
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)- (EC: 815-521-6)
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Chemie und Industrie
Verwendung und Herstellung
IFRA Fragrance Standards
alpha-Bisabolol
(R*,R*)-.α.,4-Dimethyl-.α.-(4-methyl-3-pentenyl)cyclohex-3-ene-1-methanol; 3-Cyclohexene-1-methanol, .α.,4-dimethyl-.α.-(4-methyl-3-pentenyl)-, (R*,R*)-; 6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αS,1S)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αR,1R)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αR,1S)-; 3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1- yl)-, (αS,1R)-; alpha-Bisabolol; Bisabolol; Bisabolol nat. roh (Candela-Ãl) (Commercial name); Dragosantol (Commercial name)
IFRA_STD_192.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
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Restriction Limits in the Finished Product (%)
0.42 [Products applied to the lips]
0.13 [Products applied to the axillae]
2.5 [Products applied to the face/body using fingertips]
2.4 [Products related to fine fragrances]
0.6 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.6 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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