Grundinformationen
- Standard-SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O- InChIKey
NOOLISFMXDJSKH-UTLUCORTSA-N- Summenformel
- C10H20O
- Durchschnittliche Molmasse
- 156,26 g/mol
Überblick
D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- (+)-Neomenthol
- IUPAC
- (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
- Lokaler Name
- (+)-Neomenthol
- Englischer Name
- (+)-NEOMENTHOL
- Summenformel
- C10H20O
- Molmasse
- 156.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2216-52-6、3623-51-6、491-01-0、89-78-1- PubChem CID
- 439263
- DTXSID
DTXSID20883998- ChEMBL
CHEMBL1907991- ChEBI
CHEBI:15402- UNII
- 42RE7MA7PA、89S3KO7RR9
- EC Number
- 207-723-2、218-691-4、222-824-1
- Nikkaji
- J215.948A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 120
Experimentelle und physikochemische Eigenschaften
Fragrances
Fragrance Ingredient ((+)-Neomenthol) -> IFRA transparency List
Fragrance Ingredient (dl-Neomenthol) -> IFRA transparency List
Density
0.904 at 59 °F (NTP, 1992) - Less dense than water; will float
0.901 (20 °C); 0.891 (30 °C)
0.896-0.903 (20 °C)
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
very soluble in alcohol and volatile oils; slightly soluble in water
(in ethanol)
insoluble in water; soluble in alcohol and acetone
(in ethanol)
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
95.00 °C. @ 12.00 mm Hg
212 °C ((-)-isomer 216.5)
211-213 °C
Melting Point
100 °F (NTP, 1992)
-22 °C
Refractive Index
1.461
1.459-1.460
Physikochemische Eigenschaften
- Schmelzpunkt
- 22 °C · −22 °C(lit.)
- Siedepunkt
- 95 °C12 · 95 °C12 mm Hg(lit.)
- Dichte
- 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.8 mm · 0.8 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.461
- FEMA
- 2666 · 2666 | (+)-NEOISOMENTHOL
- Flammpunkt
- 180 °F · 180 °F
- storage temp.
- 2 · 2-8°C
- pka
- 15.3 · 15.30±0.60(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Geruch (Odor)
- 10 % · at 10.00 % in dipropylene glycol. mentholic minty sweet
- Geruchsart
- mentholic
- Wasserlöslichkeit
- 434 mg/L · 434mg/L at 25℃
- BRN
- 2037488 · 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
- 3.4 at · 3.4 at 25℃
- CAS Datenbank
- 2216 · 2216-52-6(CAS DataBase Reference)
- EPA chemische Informationen
- 5 · Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)- (2216-52-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (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.
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
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/22569
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25394
Other Safety Information
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: Human health tier I assessment
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-: Human health tier I assessment
IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-: Human health tier I assessment
Health Hazards
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.
Reactivity Profile
D,L-MENTHOL is incompatible with butyl chloral hydrate, camphor, phenol, chloral hydrate, Exalgine, betanaphthol, resorcinol or thymol in triturations; potassium permanganate, chromium trioxide and pyrogallol. It is also incompatible with strong oxidizers. (NTP, 1992)
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Sicherheit und Schutzausrüstung
First Aid
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.
Nonfire Spill Response
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)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2906190090
- RTECS-Nr.
- OT0450000
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-: ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-: ACTIVE
Anwendungen
Beschreibungd-Neomenthol has a menthol-like odor. It is used in mixtures of menthols as a substitute for ι-menthol.
OccurrenceReported found in corn mint oil (Mentha arvenis).
Verwenden(+)-Neomenthol is a reagent used in the preparation of alkyl sulfonyl fluorides.
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