기본 정보
- CAS
2746-14-7- 표준 SMILES
CC1(CO)CC1- InChIKey
PIZQWRXTMGASCZ-UHFFFAOYSA-N- 분자식
- C5H10O
- 평균 분자량
- 86.13 g/mol
- 단동위원소 질량
- 86.07316494
이름 및 식별자
- 우선 이름
- (1-Methylcyclopropyl)methanol
- IUPAC
- (1-methylcyclopropyl)methanol
- 현지명
- 1-메틸시클로프로판메탄올
- 영어명
- 1-Methylcyclopropanemethanol
- 분자식
- C5H10O
- 분자량
- 86.13
이름 및 동의어
(1-Methylcyclopropyl)methanol1-Methylcyclopropanemethanol2746-14-7PIZQWRXTMGASCZ-UHFFFAOYSA-DTXSID90181877RefChem:392408DTXCID30104368626-559-6InChI=1/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3MFCD00009682Cyclopropanemethanol, 1-methyl-(1-methyl-cyclopropyl)-methanol
이름 더 보기
1-메틸시클로프로판메탄올Cyclopropanemethanol,1-methyl-1-MethylcyclopropaneMethanol 98%1-Methylcyclopropanemethanol ISO 9001:2015 REACH(1-Methylcyclopropyl)Methanol 2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
1-methylcyclopropanmethanol1-methylcyclopropylcarbinol1-methylcyclopropyl-methanol1-methyl-cyclopropanemethanol1-methylcyclopropane-methanolSCHEMBL342676SCHEMBL831967(methylcyclopropyl)methan-1-ol
데이터베이스 식별자
- CAS
2746-14-7- PubChem CID
- 137701
- DTXSID
DTXSID90181877- EC Number
- 626-559-6
- Nikkaji
- J236.396H
물성
구조 계산 물성
- XLogP
- 0.7
- 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
- 55
물리화학적 성질
- 녹는점
- -15.1 °C · -15.1°C
- 끓는 점
- 128 °C/750 · 128 °C/750 mmHg (lit.)
- 밀도
- 0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.431(lit.)
- 인화점
- 93 °F · 93 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 15.1 · 15.10±0.10(Predicted)
- InChI
- InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3
- InChIKey
- PIZQWRXTMGASCZ-UHFFFAOYSA-N
- SMILES
- C1(C)(CO)CC1
- LogP
- 0.72 · 0.720 (est)
- NIST
- 1 · 1-Methylcyclopropanemethanol(2746-14-7)
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 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10
- safety_code
- 16-29-33
- 포장분류
- III
- 위험 등급
- 3.2
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도1-Methylcyclopropanemethanol has been used in the preparation of (±)-2-(benzyloxycarbonylamino)-2-(1′-methylcyclopropyl)ethanamide.
일반 설명Kinetics of gas-phase thermal decomposition of methylcyclopropanemethanol has been reported.
상·하류 제품 정보
하류 제품
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