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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 120
実験および物理化学的性質
Density
0.904 at 59 °F (NTP, 1992) - Less dense than water; will float
0.901 (20 °C); 0.891 (30 °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)
Boiling Point
421 °F at 760 mmHg (NTP, 1992)
212 °C ((-)-isomer 216.5)
Melting Point
100 °F (NTP, 1992)
-8 °C
Physical Description
D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)
Other Solid; Liquid
Liquid
colourless, hexagonal crystals, usually needle-like; fused masses or crystalline powder with a pleasant, peppermint-like odour
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)
- 外見
- 油
- 色
- 無色透明
- JECFA Number
- 428 · 428
安全と法規制
GHS分類
GHS Classification
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
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
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
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)
安全と保護具
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)
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
用途と製造
General Manufacturing Information
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
関連反応
化合物ノート
読み込み中…