シクロプロピルカルビノール

Cyclopropanemethanol

HCID 75644CAS 2516-33-8
部分構造検索類似構造を探す

基本情報

標準SMILES
OCC1CC1
InChIKey
GUDMZGLFZNLYEY-UHFFFAOYSA-N
分子式
C4H8O
平均分子量
72.11 g/mol
単同位体質量
72.05751488

概要

potential anti-amoebic agent; inhibits alcohol dehydrogenase 2 from Entamoeba histolytica

名称と識別子

優先名称
Cyclopropanemethanol
IUPAC
cyclopropylmethanol
現地名
シクロプロピルカルビノール
英語名
Cyclopropyl carbinol
分子式
C4H8O
分子量
72.11

名称と別名

CyclopropylmethanolCyclopropanemethanol2516-33-8Cyclopropyl carbinolCyclopropylcarbinolCyclopropylmethyl alcoholCyclopropanemethyl alcoholCyclopropylcarbinyl alcoholNSC-85925AQJ99GBE9FDTXSID2051922RefChem:129955
名称をさらに表示
シクロプロピルカルビノールシクロプロピルメチルアルコールヒドロキシメチルシクロプロパンシクロプロパン-1-メタノールシクロプロパンメタノールシクロプロピルメタノールシクロプロピルカルビノルシクロプロピルカルビノ-ルCYCLOPROPANEMETHANOL L シクロプロピル メタノール シクロプロパンメタノール(ヒドロキシメチル)シクロプロパンCPMOCP-CARBINOLCPC-OLCyclopropylmethaneRARECHEM AK ML 0580Cyelopropyl carbinol
DTXCID7030484219-735-5(Hydroxymethyl)cyclopropaneHydroxymethylcyclopropaneMFCD00001309cyclopropylmethan-1-olCyclopropyl-MethanolEINECS 219-735-5

データベース識別子

CAS
2516-33-8
PubChem CID
75644
DTXSID
DTXSID2051922
UNII
AQJ99GBE9F
EC Number
219-735-5
Nikkaji
J175I

物性

構造計算による物性

XLogP
0.3
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
5

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesAtomic environment
Physical Description · 2 件

Liquid

Clear light yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
-60 °C · -60 °C
沸点
123 · 123-124 °C738 mm Hg(lit.)
比重(密度)
0.89 g/mL · 0.89 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.431(lit.)
闪点
95 °F · 95 °F
貯蔵温度
Flammables area

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P337+P317, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 120 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Cyclopropanemethanol

Cyclopropanemethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopropanemethanol 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: 17-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23682

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

Hazards Summary · 1 件

Potentially neurotoxic effects observed in oral lethal-dose study of rats; Corrosive to rabbit skin; Histopathological changes of the heart (myocarditis with myocardial fiber necrosis) observed in 4-week inhalation study of rats at all tested concentrations (0.003 mg/L the lowest tested concentration); [EPA - TSCATS] A strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Cyclohexanol.

Hazard Classes and CategoriesFlam. Liq. 3 (99.2%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 3,300 mg/m3/6hr

安全データ

wgk
1
tsca
TSCA listed
rtecs
GZ2212250
ridadr
UN 1987 3/PG 3
hs_code
29061990
risk_code
10-22-36-34

化学と産業

用途と製造

Uses · 2 件

Used as an intermediate for pharmaceuticals and other chemicals; [EPA - TSCATS]

Last manufactured by the Eastman Chemical Company in 1998; [EPA - TSCATS]

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

Pharmaceutical and Medicine Manufacturing

Cyclopropanemethanol: ACTIVE

応用分野 · 2 件

使用Cyclopropylmethanol used to increase selectivity of pyridyl-cinnoline phosphodiesterase 10A, inhibitors against phosphodiesterase 3 (PDE3). Also used in the synthesis of benzodiazapin-2-ones

一般的な説明Cyclopropanemethanol (Cyclopropyl carbinol, CPMO), a cycloalkanemethanol, is an anaesthetic. The coupling reaction of cyclopropanemethanol with alkynes to form substituted allylic alcohols has been reported. The microwave spectrum of CPMO has been recorded. Its rotational constants and dipole moment have been determined.

調製方法 · 1 件

製造方法The preparation of Cyclopropyl carbinol is as follows:A 1L three-necked flask was charged with 100 g (1mol) of methyl cyclopropanoate. 57g (1.5mol) of sodium borohydride, 500 mL of methanol, and then cooled to 2°C, 66.67g (0.5mol) of aluminum trichloride was added in batches and reacted overnight. The reaction was quenched by the addition of a saturated aqueous solution of ammonium chloride, filtered, and the filtrate was concentrated and evaporated. The product was collected in a yield of 53.49g, a yield of 74.3%.

上流・下流製品情報

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