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Grundinformationen
- CAS
128-51-8- Standard-SMILES
CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C- InChIKey
AWNOGHRWORTNEI-RYUDHWBXSA-N- Summenformel
- C13H20O2
- Durchschnittliche Molmasse
- 208,3 g/mol
- Monoisotopische Masse
- 208,14632988
Namen und Bezeichner
- Bevorzugter Name
- Nopyl acetate
- IUPAC
- 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl acetate
- Lokaler Name
- Nopylacetat
- Englischer Name
- LIGNYL ACETATE
- Summenformel
- C13H20O2
- Molmasse
- 208.3
Namen und Synonyme
(-)-Nopyl acetateNopyl acetate, (-)-35836-72-7CitroviolNopol acetateF361JE87STOTX3UCY28V2-Norpinene-2-ethanol, 6,6-dimethyl-, acetateEC 800-940-9Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1R,5S)-DTXSID40189368(1R,5S)-2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl) ethyl acetate
Weitere Namen anzeigen
NOPYL ACETATEnopylNopylacetatNopyl AcetanopolacetateDIHEPTYLACETATLIGNYL ACETATELIGNYL ACETATE USP/EP/BP
NSC 1286NSC-1286EINECS 204-891-9NSC-404963AI3-143806,6-Dimethyl-2-norpinene-2-ethanol, acetate2-Pinene-10-methyl acetate7,7-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL ACETATE
Datenbank-Bezeichner
- CAS
128-51-8、35836-72-7- PubChem CID
- 929336
- DTXSID
DTXSID40189368
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 302
Experimentelle und physikochemische Eigenschaften
CosmeticsMasking
Fragrances
Fragrance Ingredient ((1R)-Nopyl acetate) -> IFRA transparency List
Fragrance Ingredient (Nopyl acetate) -> IFRA transparency List
Physical DescriptionCBI; Liquid
Physikochemische Eigenschaften
- Siedepunkt
- 253 °C · 253 °C(lit.)
- Dichte
- 0.98 g/mL · 0.98 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.472(lit.)
- Flammpunkt
- 230 °F · >230 °F
- Farbe
- A colourless liquid with a sweet wood like odour of moderate tenacity
- Geruch (Odor)
- 100 % · at 100.00 %. herbal linalyl acetate woody pine lavender
- Geruchsart
- herbal
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCE
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 (81.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1716 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Gefahrenhinweise
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5563
Bicyclo3.1.1hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1B (81.4%)
Skin Sens. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- Toxizität
- The acute oral LD50 value in rats was reported as 3 ml/kg (2.4-3.6 ml/ kg) (Moreno, 1972a). The acute dermal LD50 value in rabbits was reported as > 2 g/kg (Moreno, 1972b).
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 14 consumer products that contain Nopyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Cosmetics -> Masking
General Manufacturing Information
Other (requires additional information)
Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate: ACTIVE
Anwendungen
BeschreibungLignyl acetate was introduced in the years of shortage and high prices of Linalyl acetate, and it had a considerable mission to fill at that time. Although it is no longer considered as a “substitute for Linalylacetate” it has found its place in perfumery as a versatile and low-cost sweet and fruity ester for use in Citrus, Fougere, Bergamot, Neroli, Cologne and soap perfumes, fragrances for various household products, etc. For many purposes, it gives better results than Terpinyl acetate and it is only slightly more expensive. A few higher esters have been produced and made commercially available, but they have only minor importance in perfumery.
OccurrenceHas apparently not been reported to occur in nature.
Darstellung
synthetischeBy acetylation of nopol (Bedoukian, 1967).
Vor- und nachgelagerte Produkte
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