Neoisomenthol

(+)-Neoisomenthol · (1R,2R,5R)-2-isopropyl-5-methylcyclohexan-1-ol · (1R,2R,5R)-Isomenthol · (1R)-(+)-Neoisomenthol · (1R,2R,5R)-2-Isopropyl-5-methyl-cyclohexanol · Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-

https://huagongshe.com/de/chemical/19244

Identifikatoren & physikalische Daten

CAS No.	20752-34-5
Summenformel	C10H20O
Durchschnittliche Molmasse	156,26 g/mol
SMILES	CC(C)[C@H]1CC[C@@H](C)C[C@H]1O
InChIKey	NOOLISFMXDJSKH-OPRDCNLKSA-N
PubChem CID	19244
ChEBI	CHEBI:18451
EC No.	207-724-8
DTXSID	DTXSID801357335

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]
SpringerMaterials Properties	Optical coefficient
Dichte	0.904 at 59 °F (NTP, 1992) - Less dense than waterwill float0.901 (20 °C)0.891 (30 °C)0.890±0.06 g/cm3(Predicted)
Löslichkeit	less than 1 mg/mL at 70 °F (NTP, 1992)very soluble in alcohol and volatile oilsslightly soluble in water(in ethanol)Chloroform, Cyclohexane, Ethanol, Ether, Methanol
Flammpunkt	196 °F (NTP, 1992)
Siedepunkt	421 °F at 760 mmHg (NTP, 1992)212 °C ((-)-isomer 216.5)94-95.5 °C(Press: 14 Torr)
Schmelzpunkt	100 °F (NTP, 1992)-8 °C
Dampfdichte	5.4 (NTP, 1992) - Heavier than airwill sink (Relative to Air)
Dampfdruck	1 mmHg at 133 °F approximately (NTP, 1992)
Brechungsindex	1.461
Physical Description	D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)Other SolidLiquidcolourless, hexagonal crystals, usually needle-likefused masses or crystalline powder with a pleasant, peppermint-like odour
FEMA	2666 \| (+)-NEOISOMENTHOL
Lagerbedingungen	Room Temperature, under inert atmosphere
pKa (Säurekonstante)	15.30±0.60(Predicted)
Aggregatzustand	Oil
Farbe	Clear Colorless
JECFA Number	428

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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)Aggregated GHS information provided per 151 reports by companies from 2 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)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-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)Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-: Does not have an individual approval but may be used under an appropriate group standardRacementhol: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-: Human health tier I assessmentIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-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.

Anwendungen & Verwendung

Verwenden

(1R,2R,5R)-2-Isopropyl-5-methylcyclohexanol is used in the tetrahydropyranylation of alcohols.