Cyclopropanemethanol (HCID 75644)

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 물성

XLogP: 0.3
극성 표면적: 20.2 Å²
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 · 2건

Liquid

Clear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -60 °C · -60 °C
끓는 점: 123 · 123-124 °C738 mm Hg(lit.)
밀도: 0.89 g/mL · 0.89 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.431(lit.)
인화점: 95 °F · 95 °F
저장 조건: Flammables area
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 15.1 · 15.10±0.10(Predicted)
색상: 무색의
Specific Gravity: 0.89 · 0.890
수용성: 혼용 가능
BRN: 1846846 · 1846846
InChI: 1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
InChIKey: GUDMZGLFZNLYEY-UHFFFAOYSA-N
SMILES: OCC1CC1
NIST: Cyclopropyl carbinol(2516-33-8)
EPA: Cyclopropanemethanol (2516-33-8)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 4건

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 · 1건

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 EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (rat) = 3,300 mg/m3/6hr

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: GZ2212250
ridadr: UN 1987 3/PG 3
HS 번호: 29061990
risk_code: 10-22-36-34
hazard_code: Xn,Xi,C,F
safety_code: 16-26-36-45-36/37/39
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

Pharmaceutical and Medicine Manufacturing

Cyclopropanemethanol: ACTIVE

응용 분야 · 2건

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 · 1건

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%.

상·하류 제품 정보

상류 원료

다이아조메테인(디아조메탄)디이오도메탄 ZINC-COPPER COUPLE 알릴 알코올

하류 제품

Cyclopropanecarboxaldehyde 시클로부탄올 Cylopropylmethyl chloride 4-(디플루오로메톡시)-3-(사이클로프로필메톡시)-벤잘데히드 2-(시클로프로필메톡시)아세트산 N-ACETYL-DL-NORLEUCINE 4-클로로-1-부텐 5-브로모-6-(사이클로프로필메톡시)니코틴산 1-브로모-4-[(사이클로프로필메톡시)메틸]벤젠 5-(cyclopropylmethoxy)-2-Pyrazinecarboxylic acid 2-(사이클로프로필메톡시)-1H-이소인돌-1,3(2H)-디온 1-Cyclopropylmethyl-3-nitro-1H-pyrazole

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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시클로프로필카르비놀

기본 정보

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