Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol
Linalool oxide pyranoid, (+-)-
Grundinformationen
- CAS
14049-11-7- Standard-SMILES
C=CC1(C)CCC(O)C(C)(C)O1- InChIKey
BCTBAGTXFYWYMW-UHFFFAOYSA-N- Summenformel
- C10H18O2
- Durchschnittliche Molmasse
- 170,25 g/mol
- Monoisotopische Masse
- 170,13067981
Überblick
Linalool oxide pyranoside is a member of the class of oxanes that is oxane substituted by methyl groups at positions 2,2 and 6, by a hydroxy group at position 3 and by an ethenyl group at position 6. It has a role as a pheromone, a flavouring agent and a plant metabolite. It is a secondary alcohol, a member of oxanes and an olefinic compound.
Namen und Bezeichner
- Bevorzugter Name
- Linalool oxide pyranoid, (+-)-
- IUPAC
- 6-ethenyl-2,2,6-trimethyloxan-3-ol
- Lokaler Name
- Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol
- Englischer Name
- 2,2,6-TRIMETHYL-6-VINYLTETRAHYDRO-2H-PYRAN-3-OL
- Summenformel
- C10H18O2
- Molmasse
- 170.25
Namen und Synonyme
14049-11-72H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-Linalool Oxide PyranoidTetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-ol2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-vinyl-EINECS 237-889-1CJQ633A12ADTXSID008644622H-Pyran-3-ol, 6-ethenyl-tetrahydro-2,2,6-trimethyl-6-Ethenyl-3,4,5,6-tetrahydro-2,2,6-trimethyl-2H-pyran-3-ollinalool pyran oxideepoxylinalool (pyranoid)
Weitere Namen anzeigen
Epoxylinalollinalool oxide pyranoside3-Hydroxy-2,2,6-trimethyl-6-vinyltetrahydropyran2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol (mixture of isomers)6-Ethenyl-2,2,6-trimethyloxan-3-ol2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol2,2,6-TRIMETHYL-6-VINYLTETRAHYDRO-2H-PYRAN-3-OL2,2,6-TriMethyl-6-vinyltetrahydropyran-3-ol
RefChem:799199LINALOOL OXIDE, PYRANOIDFEMA NO. 4593DTXCID00213173Linalool oxide pyranoid, (+-)-2,2,6-trimethyl-6-vinyl tetrahydro-2H-pyran-3-ol3-hydroxy-2,2,6-trimethyl-6-vinyl tetrahydropyran6-ethenyl-2,2,6-trimethyl tetrahydro-2H-pyran-3-ol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 186
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Linalool oxide pyranoid) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.991-0.996 (20 °C)
Solubility
Practically insoluble to insoluble in water
Soluble (in ethanol)
Boiling Point
223.00 to 224.00 °C. @ 760.00 mm Hg
223-224º
Refractive Index1.472-1.482
Physical DescriptionColourless to pale yellow liquid; floral aroma
Physikochemische Eigenschaften
- Siedepunkt
- 98 °C/10mmHg · 98°C/10mmHg(lit.)
- Dichte
- 0.988 · 0.988±0.06 g/cm3(Predicted)
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationChemical: 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2932990090
- risk_code
- 22
- hazard_code
- Xn
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-: ACTIVE
Vor- und nachgelagerte Produkte
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Nachgelagerte Produkte
Anbieter39 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司
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