α,β,2,2,6-Pentamethylcyclohexanpropanol
alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
Grundinformationen
- CAS
60241-53-4- Standard-SMILES
CC(O)C(C)CC1C(C)CCCC1(C)C- InChIKey
HMENPFAAAQWASO-UHFFFAOYSA-N- Summenformel
- C14H28O
- Durchschnittliche Molmasse
- 212,37 g/mol
- Monoisotopische Masse
- 212,21401551
Namen und Bezeichner
- Bevorzugter Name
- alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
- IUPAC
- 3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol
- Lokaler Name
- α,β,2,2,6-Pentamethylcyclohexanpropanol
- Englischer Name
- iso-Methyl tetrahydroionol
- Summenformel
- C14H28O
- Molmasse
- 212.37
Namen und Synonyme
iso-Methyl tetrahydroionol60241-53-4MethyltetrahydroionolVIOLET PROPANOLCyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-TIMBRANOLW5L6ZT39B74-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-olEINECS 262-117-5alpha,beta,2,2,6-PentamethylcyclohexanepropanolCyclohexanepropanol, alpha,beta,2,2,6-pentamethyl-DTXSID90866798
Weitere Namen anzeigen
CORPS SANTALCyclohexanepropanol, α,β,2,2,6-pentamethyl-ALPHA,B,2,2,6-Pentamethylcyclohexanepropanolalpha,beta,2,2,6-Pentamethylcyclohexanpropanolalpha,beta,2,2,6-pentamethyl-cyclohexanepropano3-Methyl-4-(2,2,6-trimethylcyclohexyl)-2-butanol
.ALPHA.,.BETA.,2,2,6-PENTAMETHYLCYCLOHEXANEPROPANOLRefChem:555103DTXCID40815039262-117-5iso-MethyltetrahydroionolMethyl tetrahydroionol3-methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-olUNII-W5L6ZT39B7
Datenbank-Bezeichner
- CAS
60241-53-4- PubChem CID
- 108425
- DTXSID
DTXSID90866798- UNII
- W5L6ZT39B7
- EC Number
- 262-117-5
- Nikkaji
- J190.835I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 198
Experimentelle und physikochemische Eigenschaften
Fragrances
Fragrance substance (1-(2,2,6-Trimethylcyclohexyl)-3-pentanol) -> IFRA amendment 51
Fragrance Ingredient (4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Siedepunkt
- 259.2 · 259.2±8.0 °C(Predicted)
- Dichte
- 0.848 · 0.848±0.06 g/cm3(Predicted)
- pka
- 15.09 · 15.09±0.20(Predicted)
- Geruch (Odor)
- 100 % · at 100.00 %. woody violet cedar floral ambergris
- Geruchsart
- woody
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 4.97 · 4.970 (est)
- EPA chemische Informationen
- 2 · Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl- (60241-53-4)
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1583 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-
Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
IFRA Fragrance Standards
1-(2,2,6-Trimethylcyclohexyl)-3-pentanol
1-(2,2,6-Trimethylcyclohexyl)-3-pentanol; Cyclohexanepropanol, α-ethyl-2,2,6-trimethyl-; Cyclohexanepropanol, alpha-ethyl-2,2,6-trimethyl-; alpha-Ethyl-2,2,6-trimethylcyclohexanepropanol; α-Ethyl-2,2,6-trimethylcyclohexanepropanol; .alpha.,.beta.,2,2,6-Pentamethylcyclohexanepropanol; .α.,.β.,2,2,6-Pentamethylcyclohexanepropanol; 3-Methyl-4-(2,2,6-trimethylcyclohexyl)butan-2-ol; 4-(2,6,6-Trimethylcyclohexyl)-3-methylbutan-2-ol; Cyclohexanepropanol, .α.,.β.,2,2,6-pentamethyl-; Cyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-; Methyltetrahydroionol; Iso-methyl tetrahydroionol; Madranol (commercial name)
IFRA_STD_251.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 InformationCyclohexanepropanol, .alpha.,.beta.,2,2,6-pentamethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.096 [Products applied to the lips]
0.071 [Products applied to the axillae]
1.4 [Products applied to the face/body using fingertips]
1.3 [Products related to fine fragrances]
0.34 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.34 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Anbieter2 Anbieter
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
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