Neoisomenthol

HCID 19244

基本情報

CAS
20752-34-5
標準SMILES
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O
InChIKey
NOOLISFMXDJSKH-OPRDCNLKSA-N
分子式
C10H20O
平均分子量
156.26 g/mol

概要

D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)

名称と識別子

優先名称
Neoisomenthol
IUPAC
(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
英語名
(1R,2R,5R)-2-Isopropyl-5-methyl-cyclohexanol
分子式
C10H20O
分子量
156.27

名称と別名

Neoisomenthol20752-34-5(+)-neoisomenthol491-02-1(1R,2R,5R)-2-isopropyl-5-methylcyclohexanol(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol(R,R,R)-Mentholiso-neomenthol(+/-)-NeoisomentholMFCD09834087(1R,2R,5R)-IsomentholNeoisomenthol, (+)-
名称をさらに表示
(1R)-(+)-Neoisomenthol(1R,2R,5R)-2-Isopropyl-5-methyl-cyclohexanol
cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-olcis-1,3,cis-1,4-menthol90E7IB31QHp-Menthan-3-olrel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol(1R,2R,5R)-2-Isopropyl-5-methylcyclohexan-1-ol(1R,2R,5R)-rel-2-Isopropyl-5-methylcyclohexanol

データベース識別子

CAS
20752-34-5、491-02-1、89-78-1
PubChem CID
19244
DTXSID
DTXSID801357335
ChEBI
CHEBI:18451
UNII
90E7IB31QH
EC Number
207-724-8
Nikkaji
J238.499J

物性

構造計算による物性

XLogP
3
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
1
重原子数
11

実験および物理化学的性質

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesOptical coefficient
Density · 2 件

0.904 at 59 °F (NTP, 1992) - Less dense than water; will float

0.901 (20 °C); 0.891 (30 °C)

Solubility · 3 件

less than 1 mg/mL at 70 °F (NTP, 1992)

very soluble in alcohol and volatile oils; slightly soluble in water

(in ethanol)

Flash Point196 °F (NTP, 1992)
Boiling Point · 2 件

421 °F at 760 mmHg (NTP, 1992)

212 °C ((-)-isomer 216.5)

物理化学的性質

沸点
94 · 94-95.5 °C(Press: 14 Torr)
比重(密度)
0.89 · 0.890±0.06 g/cm3(Predicted)
FEMA
2666 · 2666 | (+)-NEOISOMENTHOL
貯蔵温度
Room Temperature, under inert atmosphere
溶解性
クロロホルム、シクロヘキサン、エタノール、エーテル、メタノール
酸解離定数(Pka)
15.3 · 15.30±0.60(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (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.

危険有害性情報

Regulatory Information · 5 件

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 standard

Racementhol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 件

IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R-(1.alpha.,2.alpha.,5.alpha.)]-: Human health tier I assessment

IMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: Human health tier I assessment

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

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 件

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)

安全と保護具

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

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 件

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 件

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)

安全データ

注意喚起語
警告
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

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 ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-rel-: ACTIVE

応用分野

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

サプライヤー39 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]

関連反応

2 件

化合物ノート

読み込み中…