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(+)-Neomenthol
FEMA 2666 · (1S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXANOL · D-NEOMENTHOL · Neomenthol, D- · (+)-neomenthol · Einecs 218-691-4 · NEOMENTHOL, (+)- · (+)-Neomenthol>dextro-neomenthol
Identifikatoren & physikalische Daten
| CAS No. | 2216-52-6 |
|---|---|
| Summenformel | C10H20O |
| Durchschnittliche Molmasse | 156,26 g/mol |
| SMILES | CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O |
| InChIKey | NOOLISFMXDJSKH-UTLUCORTSA-N |
| PubChem CID | 439263 |
| ChEMBL | CHEMBL1907991 |
| ChEBI | CHEBI:15402 |
| EC No. | 207-723-2 |
| DTXSID | DTXSID20883998 |
| Lokaler Name | (+)-Neomenthol |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 120 |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| Duftstoffe | Fragrance Ingredient ((+)-Neomenthol) -> IFRA transparency ListFragrance Ingredient (dl-Neomenthol) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.904 at 59 °F (NTP, 1992) - Less dense than waterwill float0.901 (20 °C)0.891 (30 °C)0.896-0.903 (20 °C)0.899 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)very soluble in alcohol and volatile oilsslightly soluble in water(in ethanol)insoluble in watersoluble in alcohol and acetone434mg/L at 25℃ |
| Flammpunkt | 196 °F (NTP, 1992)180 °F |
| Siedepunkt | 421 °F at 760 mmHg (NTP, 1992)95.00 °C. @ 12.00 mm Hg212 °C ((-)-isomer 216.5)211-213 °C95 °C12 mm Hg(lit.) |
| Schmelzpunkt | 100 °F (NTP, 1992)-22 °C−22 °C(lit.) |
| Dampfdichte | 5.4 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Dampfdruck | 1 mmHg at 133 °F approximately (NTP, 1992)0.8 mm Hg ( 20 °C) |
| Brechungsindex | 1.4611.459-1.460n20/D 1.461 |
| FEMA | 2666 | (+)-NEOISOMENTHOL |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 15.30±0.60(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 10.00 % in dipropylene glycol. mentholic minty sweet |
| Geruchsart | mentholic |
| BRN | 2037488 |
| InChI | 1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
| InChIKey | NOOLISFMXDJSKH-UTLUCORTSA-N |
| SMILES | CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O |
| LogP (Verteilungskoeffizient) | 3.4 at 25℃ |
| CAS Datenbank | 2216-52-6(CAS DataBase Reference) |
| EPA chemische Informationen | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- (2216-52-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 248 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel- 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: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22569Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25394 |
| Weitere Sicherheitsinformationen | IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: Human health tier I assessmentIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-: Human health tier I assessmentIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-: Human health tier I assessment |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Exposure may also cause hypersensitivity reactions including contact dermatitis, spasms of the glottis and collapse in young children, urticaria, flushing, headache, insomnia, unsteady gait, thick speech, tremor of the hands, mental confusion, depression, vomiting, cramp in the legs and bradycardia. Exposure to compounds of this class may cause painless blanching or erythema, possible corrosion, profuse sweating, intense thirst, nausea, diarrhea, cyanosis from methemoglobinemia, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis, convulsions, coma and pulmonary edema followed by pneumonia. If death from respiratory failure is not immediate, jaundice and oliguria or anuria may occur. These compounds occasionally cause skin sensitization. |
| Reaktive Gruppe | Alcohols and Polyols |
| Reactivity Profile | D,L-MENTHOL is incompatible with butyl chloral hydrate, camphor, phenol, chloral hydrate, Exalgine, betanaphthol, resorcinol or thymol in triturationspotassium permanganate, chromium trioxide and pyrogallol. It is also incompatible with strong oxidizers. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2906190090 |
| RTECS-Nr. | OT0450000 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
d-Neomenthol has a menthol-like odor. It is used in mixtures of menthols as a substitute for ι-menthol.
Occurrence
Reported found in corn mint oil (Mentha arvenis).
Verwenden
(+)-Neomenthol is a reagent used in the preparation of alkyl sulfonyl fluorides.