기본 정보
- 표준 SMILES
OCC1CCC1- InChIKey
WPOPOPFNZYPKAV-UHFFFAOYSA-N- 분자식
- C5H10O
- 평균 분자량
- 86.13 g/mol
- 단동위원소 질량
- 86.07316494
개요
potential anti-amoebic agent; inhibits alcohol dehydrogenase 2 from Entamoeba histolytica
이름 및 식별자
- 우선 이름
- Cyclobutylcarbinol
- IUPAC
- cyclobutylmethanol
- 영어명
- Cyclobutanemethanol
- 분자식
- C5H10O
- 분자량
- 86.13
이름 및 동의어
CyclobutylmethanolcyclobutylcarbinolRefChem:129398Cyclobutanemethanol4415-82-1Hydroxymethylcyclobutane(Hydroxymethyl)cyclobutaneMFCD00001330C5H10OMUZ4H2286Icyclobutyl methanolCyclobutYl-Methanol
이름 더 보기
CyclobutylMethanocyclobutaneMethanoRARECHEM AK ML 0579CYCLOBUTANECARBINOLCyclobutane-1-methanolCyclobutanemethanol,99%Cyclobutanemethanol >
Cyclobutane carbinolEINECS 224-575-4Cyclobutanemethanol, 99%CYCLOBUTANE METHANOLSCHEMBL5461UNII-MUZ4H2286ISCHEMBL22101SCHEMBL129300
데이터베이스 식별자
- CAS
4415-82-1- PubChem CID
- 78130
- DTXSID
DTXSID40196057- UNII
- MUZ4H2286I
- EC Number
- 224-575-4
- Nikkaji
- J80.828H
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 39.2
실험 및 물리화학적 성질
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 68.5 °C · 68.5 °C
- 끓는 점
- 143 · 143-144 °C(lit.)
- 밀도
- 0.913 g/mL · 0.913 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.446(lit.)
- 인화점
- 104 °F · 104 °F
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 산도 계수 (pKa)
- 15.26 · 15.26±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색의
- 수용성
- 섞일 수 없음
- BRN
- 2036027 · 2036027
- InChI
- InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2
- InChIKey
- WPOPOPFNZYPKAV-UHFFFAOYSA-N
- SMILES
- C1(CO)CCC1
- NIST
- Cyclobutanemethanol(4415-82-1)
화학적 성질
Colorless to Almost colorless clear liquid.
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25851
Hydroxymethylcyclobutane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Cyclopropanemethanol.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- HS 번호
- 29061900
- risk_code
- 10
- safety_code
- 16-24/25
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도Cyclobutanemethanol was used in the synthesis of bicyclic lactone.
일반 설명Oxidation of cyclobutanemethanol in the presence of lead tetraacetate and lead tetraacetate/metal chloride has been investigated.
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상류 원료
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