基本情報
- CAS
1219805-67-0- 標準SMILES
OCC1CC1- InChIKey
GUDMZGLFZNLYEY-UHFFFAOYSA-N- 分子式
- C4H8O
- 平均分子量
- 72.11 g/mol
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‐2,2,3,3‐D4‐メチル‐D2アルコール
- 英語名
- Cyclopropyl--d4-Methyl-d2 Alcohol
- 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‐2,2,3,3‐D4‐メチル‐D2アルコールシクロプロピル-2,2,3,3-d４-メチル-d２アルコールCyclopropyl--d4-Methyl-d2 Alcohol
DTXCID7030484219-735-5(Hydroxymethyl)cyclopropaneHydroxymethylcyclopropaneMFCD00001309cyclopropylmethan-1-olCyclopropyl-MethanolEINECS 219-735-5
データベース識別子
- CAS
1219805-67-0- 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
- 形式電荷
- 0
- 複雑度
- 30.6
実験および物理化学的性質
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesAtomic environment
Physical Description
Liquid
Clear light yellow liquid; [Sigma-Aldrich MSDS]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
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
- 消防法
- 危-4-2-III
化学と産業
用途と製造
Uses
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
Pharmaceutical and Medicine Manufacturing
Cyclopropanemethanol: ACTIVE
応用分野
使用Cyclopropyl-2,2,3,3-d4-methyl-d2 Alcohol (CAS# 1219805-67-0) is a useful isotopically labeled research compound.
サプライヤー5 社
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
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