[1R-(1α,4aβ,4bα,10aα)]-Dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol
Dihydroabietyl alcohol
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Grundinformationen
- CAS
26266-77-3- Standard-SMILES
CC(C)C1C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1- InChIKey
FLMIYUXOBAUKJM-IUHBKHCYSA-N- Summenformel
- C20H34O
- Durchschnittliche Molmasse
- 290,491 g/mol
- Monoisotopische Masse
- 290,26096571
Namen und Bezeichner
- Bevorzugter Name
- Dihydroabietyl alcohol
- IUPAC
- (13xi)-Abiet-8(14)-en-18-ol
- Lokaler Name
- [1R-(1α,4aβ,4bα,10aα)]-Dodecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol
- Englischer Name
- HYDROABIETYL ALCOHOL
- Summenformel
- C20H34O
- Molmasse
- 290.48
Namen und Synonyme
DIHYDROABIETYL ALCOHOLABITOLABITOL TECHHYDROABIETYL ALCOHOLdihydro-abietylalcohoHydroabietyl alcohol 10g [26266-77-3]Dihydroabietyl alcohol (technical mix)Dihydroabietyl alcohol @1000 μg/mL in Ethanoldodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanododecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenemethanol
Datenbank-Bezeichner
- CAS
26266-77-3- PubChem CID
- 21117614
- DTXSID
DTXSID6051936- UNII
- 6770B58N0V
- EC Number
- 247-574-0
- Nikkaji
- J1.607.754B
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 387.431 · 387.431±11.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 0.984 · 0.984±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.961 · 14.961±0.10(predicted)
- Farbe
- A colourless viscous liquid with a very faint wood-like odour
- Geruch (Odor)
- mild woody
- Henry's Law Constant
- 1.9 · 1.9×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- Kosmetik-Inhaltsstoffe Funktionen
- VISCOSITY CONTROLLINGBINDING
- InChI
- 1S/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3
- InChIKey
- FLMIYUXOBAUKJM-UHFFFAOYSA-N
- SMILES
- CC(C)C1CCC2C(CCC3C(C)(CO)CCCC23C)=C1
- LogP
- 6.789 · 6.789 (est)
- EPA chemische Informationen
- 1 · 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bS,10aR)- (26266-77-3)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- Toxizität
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Shelanski, 1972).
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
OccurrenceHas apparently not been reported to occur in nature
Verwendenfor use in adhesives, mascara, inks, sealants, etc.; pasticizer in plastic materials;
VerwendenHydroabietyl alcohol is also the natural source and parent of several solvent-fixatives, used in perfumery: Abitol, Methyl abietate (Abalyn) and hydrogenated Methyl abietate (Hercolyn). Rosin, the natural material, is occasionally used as a fixative in Pine and other fragrance types. It is inexpensive and has at times been popular in certain types of soap perfume. Certain derivatives of Abietic acid are used as emulsifiers and “cloudificators” in carbonated beverages - to give visual impression of fruit juice content in beverages made with little or no “cloudy” natural juice. “Cloudy” Orange sodas are popular in certain countries.
Darstellung
synthetischeFrom hydrogenated rosin acids (Arctander, 1969).
synthetischeBy distillation of Rosin (from American Turpentine, e. g.) or by treatment with acid to isomenze the natural Levopimaric acid. Purification over the Diamylammonium salt.
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