Grundinformationen
- CAS
111957-74-5- Standard-SMILES
CC1(C)C2CC=C(CO)C1C2- InChIKey
RXBQNMWIQKOSCS-UHFFFAOYSA-N- Summenformel
- C10H16O
- Durchschnittliche Molmasse
- 152,23 g/mol
- Monoisotopische Masse
- 152,12011513
Überblick
myrtenol has been reported in Artemisia thuscula, Alpinia latilabris, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- (+-)-Myrtenol
- IUPAC
- (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol
- Lokaler Name
- (-)-Pin-2-en-10-ol
- Englischer Name
- (-)-MYRTENOL
- Summenformel
- C10H16O
- Molmasse
- 152.23
Namen und Synonyme
Myrtenol515-00-42-PINEN-10-OLBicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-FEMA No. 34396,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanol(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanolBicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-DTXSID00862089pin-2-ene-10-ol6,6-dimethyl-2-oxymethylbicyclo(1.1.3)hept-2-ene
Weitere Namen anzeigen
(-)-Myrtenol(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanolBenihinolNSC 408846(±)-Myrtenol(-)-MYRTENOL 97%Pina-2-ene-10-ol
(6,6-dimethyl-2-bicyclo(3.1.1)hept-2-enyl)methanol(+-)-MyrtenolRefChem:819777DTXCID00218168(6,6-dimethyl-4-bicyclo(3.1.1)hept-3-enyl)methanol208-193-5933-307-1(-)-MYRTENOL, 97
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 203
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient (Myrtenol) -> IFRA transparency List
LogP3.220
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.976-0.983
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water and propylene glycol; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
221.00 to 222.00 °C. @ 760.00 mm Hg
221 °C
Refractive Index1.490-1.500
Physical DescriptionColourless or pale straw-coloured liquid; Warm-herbaceous, slightly woody and discretely medicinal-camphoraceous odour of moderate to poor tenacity
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1402 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Bicyclo3.1.1hept-2-ene-2-methanol, 6,6-dimethyl-: 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 - Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-: ACTIVE
Anwendungen
OccurrenceReported found in cranberry, bilberry, blackberry, raspberry, strawberry, Virginia tobacco, mandarin and lime peel oil, melon, ginger, peppermint and Scotch spearmint oil, pepper, parsley, Gruyere cheese, hop oil, Bourbon vanilla, cognac, tea, laurel, myrtle leaf, myrtle oil, buchu oil, lemon balm, lamb’s lettuce, Roman chamomile oil, eucalyptus oil and mastic gum and leaf oil.
VerwendenMyrtenol (cas# 515-00-4) is used in mosquito attractant compositions.
Darstellung
synthetischeCan be obtained in d,l-form from α-pinene with SeO2 in ethanol.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
4
Notizen zur Verbindung
Wird geladen…