시클로프로필카르비놀
Cyclopropanemethanol
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기본 정보
- CAS
2516-33-8- 표준 SMILES
OCC1CC1- InChIKey
GUDMZGLFZNLYEY-UHFFFAOYSA-N- 분자식
- C4H8O
- 평균 분자량
- 72.11 g/mol
- 단동위원소 질량
- 72.05751488
개요
potential anti-amoebic agent; inhibits alcohol dehydrogenase 2 from Entamoeba histolytica
이름 및 식별자
- 우선 이름
- Cyclopropanemethanol
- IUPAC
- cyclopropylmethanol
- 현지명
- 시클로프로필카르비놀
- 영어명
- Cyclopropyl carbinol
- 분자식
- C4H8O
- 분자량
- 72.11
이름 및 동의어
CyclopropylmethanolCyclopropanemethanol2516-33-8Cyclopropyl carbinolCyclopropylcarbinolCyclopropylmethyl alcoholCyclopropanemethyl alcoholCyclopropylcarbinyl alcoholNSC-85925AQJ99GBE9FDTXSID2051922RefChem:129955
이름 더 보기
사이클로프로페인메탄올시클로프로필카르비놀CPMOCP-CARBINOLCPC-OLCyclopropylmethaneRARECHEM AK ML 0580Cyelopropyl carbinol
DTXCID7030484219-735-5(Hydroxymethyl)cyclopropaneHydroxymethylcyclopropaneMFCD00001309cyclopropylmethan-1-olCyclopropyl-MethanolEINECS 219-735-5
데이터베이스 식별자
- CAS
2516-33-8- PubChem CID
- 75644
- DTXSID
DTXSID2051922- UNII
- AQJ99GBE9F
- EC Number
- 219-735-5
- Nikkaji
- J175I
물성
구조 계산 물성보충 중
- XLogP
- 0.3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 30.6
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesAtomic environment
Physical Description
Liquid
Clear light yellow liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- -60 °C · -60 °C
- 끓는 점
- 123 °C · 123 °C
- 밀도
- 0.91 · 0.91
- 굴절률
- 1.43 · 1.43
- 인화점
- 35 °C · 35 °C
- 저장 조건
- Flammables area
- 용해도
- 클로로포름, 에틸아세테이트에 용해됨
- 물리적 상태
- clear liquid
- 산도 계수 (pKa)
- 15.1 · 15.10±0.10(Predicted)
- Specific Gravity
- 0.89 · 0.890
- 색상
- Colorless to Light yellow
- 수용성
- 혼용 가능
- BRN
- 1846846 · 1846846
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
Adverse Effects
화학 및 산업
용도 및 제조
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
응용 분야
용도Cyclopropylmethanol used to increase selectivity of pyridyl-cinnoline phosphodiesterase 10A, inhibitors against phosphodiesterase 3 (PDE3). Also used in the synthesis of benzodiazapin-2-ones
일반 설명Cyclopropanemethanol (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.
제조 방법
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%.
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