(+)-Neomenthol

HCID 439263CAS 2216-52-6

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

(+)-Neomenthol2216-52-6d-NeomentholNeomenthol, (+)-(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol42RE7MA7PAMenthol, (1R,3S,4S)-(+)-FEMA No. 2666DTXSID9044326CHEBI:15402(+) Neomenthol
Weitere Namen anzeigen
FEMA 2666Einecs 218-691-4(+)-Neomenthol>dextro-neomentholD-NEOMENTHOL 99+%
RefChem:1048979DTXCID7024326218-691-4(1S,2S,5R)-2-Isopropyl-5-methylcyclohexanoldl-Neomenthol3623-51-6NeomentholNeomenthol, D-

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

Experimentelle und physikochemische Eigenschaften

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Fragrances · 2 Einträge

Fragrance Ingredient ((+)-Neomenthol) -> IFRA transparency List

Fragrance Ingredient (dl-Neomenthol) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 3 Einträge

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)

Flavoring AgentsEU Flavoring substances
Solubility · 5 Einträge

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)

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 6 Einträge

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 · 3 Einträge

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

Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards · 1 Eintrag

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.

Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 Eintrag

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)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

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) · 1 Eintrag

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

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesOdor agents
Household ProductsInformation on 35 consumer products that contain Menthol (Racementhol) in the following categories is provided:
Use Classification · 4 Einträge

Fragrance Ingredients

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 4 Einträge

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 · 3 Einträge

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.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter9 Anbieter

上海纽雀客生物科技有限公司13916276291 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
常州衍旭科技有限公司18106123700 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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