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p-Mentha-1,4(8)-dien
p-Mentha-1,4(8)-diene · ALPHA-TERPINOLENE · TERPINOLEN · isoterpinene · delta-Terpinene · FEMA 3046 · TERPINOLENE NATURAL · 1-methyl-4-(1-methylethylidene)cyclohexene
Identifikatoren & physikalische Daten
| CAS No. | 586-62-9 |
|---|---|
| Summenformel | C10H16 |
| Durchschnittliche Molmasse | 136,23 g/mol |
| Monoisotopische Masse | 136,12520051 g/mol |
| SMILES | CC1=CCC(=C(C)C)CC1 |
| InChIKey | MOYAFQVGZZPNRA-UHFFFAOYSA-N |
| PubChem CID | 11463 |
| ChEMBL | CHEMBL454697 |
| ChEBI | CHEBI:9457 |
| EC No. | 209-578-0 |
| DTXSID | DTXSID0027222 |
| Lokaler Name | p-Mentha-1,4(8)-dien |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 178 |
| Stoffklassen | Biological Agents -> TerpenesFlammable agents - 3rd degree |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| Kosmetika | Cosmetics ingredient -> FlavorFragrance |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (Terpinolene) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | log Kow = 4.474.24 |
| Geruch | SWEET, PINE ODORPINE-LIKE AROMA |
| Geschmack | SOMEWHAT SWEET, CITRUS FLAVORTERPENE TASTE |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.8632 g/cu cm at 15 °CBulk density: wt/gal 7.2 lb at 15.5 °C0.872-0.8820.861 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Color/Form | Water-white to pale amber liquidColorless liquid or oil |
| Schmelzpunkt | <25 °C |
| Siedepunkt | 184-185 °C (lit.) |
| Dampfdichte | ~4.7 (vs air) |
| Dampfdruck | ~0.5 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.489(lit.) |
| FEMA | 3046 | TERPINOLENE |
| Flammpunkt | 148 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform: Slightly SolubleMethanol: Slightly Soluble6.812mg/L(25 ºC) |
| Aggregatzustand | clear liquid |
| Farbe | Colourless or pale straw-coloured liquid. |
| Wichte | 0.84 |
| Geruch | at 10.00 % in dipropylene glycol. fresh woody sweet pine citrus |
| Geruchsart | herbal |
| Biologische Quelle | synthetic |
| JECFA Number | 1331 |
| BRN | 1851203 |
| Henry-Konstante | 7.9×10-4 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| Dielektrizitätskonstante | 2.3(Ambient) |
| Stabilität | Light Sensitive |
| Hauptanwendungen | cleaning productscosmeticsfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCE |
| InChI | 1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 |
| InChIKey | MOYAFQVGZZPNRA-UHFFFAOYSA-N |
| SMILES | C\C(C)=C1/CCC(C)=CC1 |
| LogP (Verteilungskoeffizient) | 4.33-4.38 at 20-37℃ |
| CAS Datenbank | 586-62-9(CAS DataBase Reference) |
| NIST chemische Informationen | Cyclohexene, 1-methyl-4-(1-methylethylidene)-(586-62-9) |
| EPA chemische Informationen | Terpinolene (586-62-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (77.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2251 reports by companies from 44 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexene, 1-methyl-4-(1-methylethylidene)-Hazard Traits - Fragrance AllergenCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexene, 1-methyl-4-(1-methylethylidene)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexene, 1-methyl-4-(1-methylethylidene)- 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: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10412Cyclohexene, 1-methyl-4-(1-methylethylidene)-: HSNO Approval: HSR001222 Approved with controls |
| Weitere Sicherheitsinformationen | IMAP assessments - Terpinene, terpinolene and phellandrene: Human health tier II assessment |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Brandpotenzial | A very dangerous fire hazard when exposed to heat or flame.Flammable, moderate fire risk. |
| Gesundheitsgefahren | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| Gefahrenübersicht |
Anwendungen & Verwendung
Occurrence
Reported found in citrus juices and oils, black currant, guava, papaya, raspberry, various spice and mint oils, tea, passion fruit, litchi, lovage oil, distilled lime peel oil, ginger, nutmeg, pepper, mace, coriander seed, lovage seed, lovage root, myrtle leaf, pimento berry, pimento leaf, winter savory, smaller galanga, Ethiopian or guinea pepper and ashanti pepper.
Verwenden
Solvent for resins, essential oils; manufacture of synthetic resins, synthetic flavors.
Herstellung & Synthese
synthetische
By alcoholic sulphuric acid treatment of pinene (Arctander, 1969).