Grundinformationen
- CAS
10581-37-0- Standard-SMILES
CC(=O)OC(C)(C)C1CC=C(C)CC1- InChIKey
IGODOXYLBBXFDW-UHFFFAOYSA-N- Summenformel
- C12H20O2
- Durchschnittliche Molmasse
- 196,29 g/mol
- Monoisotopische Masse
- 196,14632988
Überblick
Alpha-Terpinyl acetate is a p-menthane monoterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Terpinyl acetate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
- Lokaler Name
- p-Menth-1-en-8-ylacetat
- Englischer Name
- Terpinyl acetate
- Summenformel
- C12H20O2
- Molmasse
- 196.29
Namen und Synonyme
ALPHA-TERPINYL ACETATE2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetatealpha-Terpineol acetatep-Menth-1-en-8-yl acetatep-Menth-1-en-8-ol, acetatealpha-Terpineol, acetate.alpha.-Terpinyl acetateDTXSID2026496.alpha.-Terpineol acetateTerpinyl acetate (natural)EINECS 201-265-7EINECS 234-183-5
Weitere Namen anzeigen
Terpineol acetateTerpenyl acetatea-Terpinyl acetateà-terpinyl acetate4-Terpinyl acetate(±)-α-Terpinyl acetateFEMA 3047TERPINYL ACETATE
3-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-, acetateBRN 3198769AI3-00522DTXCID5064963-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetateEC 201-265-7.ALPHA.-TERPINEOL, ACETATE4-06-00-00253 (Beilstein Handbook Reference)
Datenbank-Bezeichner
- CAS
10581-37-0、80-26-2、8007-35-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 251
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
FragrancesFragrance Ingredient (alpha-Terpineol acetate) -> IFRA transparency List
Density0.953-0.962
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohol, most fixed oils, propylene glycol, mineral oil; slightly soluble in glycerol; insoluble in water
1 ml in 5 ml 70% alcohol (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
115.00 °C. @ 2.00 mm Hg
220 °C
Refractive Index1.464-1.467
Physical Description
Liquid; CBI
colourless liquid with a sweet, refreshing, herbaceous odour
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
This chemical does not meet GHS hazard criteria for 12.4% (240 of 1929) of reports.
H411 (84.6%): 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 1929 reports by companies from 8 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-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)
REACH registered substance: p-menth-1-en-8-yl acetate (EC: 201-265-7)
Terpinyl acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (84.6%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29153900
- RTECS-Nr.
- OT0200000
- risk_code
- 36/38
- Toxizität
- The acute oral LD50 value in rats was reported as 5.075 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964).
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 49 consumer products that contain A-Terpinyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Fabricated Metal Product Manufacturing
3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate: ACTIVE
Anwendungen
OccurrenceReported in over 40 essential oils, including cypress, Malabar cardamom, cajeput niaouli, Siberian pine needles, pine, Melaleuca trichostachya, Melaleuca pauciflora and others; also identified in the essential oils of bitter orange (Fenarolfs Handbook of Flavor Ingredients, 1971 ; Gildemeister & Hoffman, 1966). Terpinyl Acetate is found in Pine oil, Cajeput oil, Pine needle oil, Cardamom oil and other essential oils.
VerwendenPerfumes, flavoring agent.
Darstellung
synthetischeTerpinyl acetate was successfully synthesized from (x-terpineol and acetic anhydride in supercritical carbon dioxide (SC-C02) by enzymatic catalysis.By acetylation of a-terpineol or mixed isomeric terpineols (Bedoukian, 1967).
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