15-Crown-5
기본 정보
- CAS
33100-27-5- 표준 SMILES
C1COCCOCCOCCOCCO1- InChIKey
VFTFKUDGYRBSAL-UHFFFAOYSA-N- 분자식
- C10H20O5
- 평균 분자량
- 220.26 g/mol
- 단동위원소 질량
- 220.13107374
개요
15-crown-5 is a saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether. It is a saturated organic heteromonocyclic parent and a crown ether.
이름 및 식별자
- 우선 이름
- 15-Crown-5
- IUPAC
- 1,4,7,10,13-pentaoxacyclopentadecane
- 영어명
- 15-Crown-5
- 분자식
- C10H20O5
- 분자량
- 220.26
이름 및 동의어
15-Crown-533100-27-51,4,7,10,13-PENTAOXACYCLOPENTADECANEDTXSID70677467G6K9SB27YCHEBI:32401RefChem:78755DTXCID9038634251-379-615-Crown-5 ether15-Crown 5-EtherMFCD00005110
이름 더 보기
crown ether15-Crown-615-Crown-5 98%15-ether-5Crownethers15-CROWN-5,99%JACS-33100-27-5
AKOS005622525CS-W00745115C51, 4, 7, 10, 13-pentaoxacyclopentadecane15-Crown-5, Vetec(TM) reagent grade, 98%EN300-67436101,4,10,13-PentaoxacyclopentadecaneEYO
데이터베이스 식별자
- CAS
33100-27-5- PubChem CID
- 36336
- DTXSID
DTXSID7067746- ChEMBL
CHEMBL156289- ChEBI
CHEBI:32401- UNII
- 7G6K9SB27Y
- EC Number
- 251-379-6
- Nikkaji
- J53.730F
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 46.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 86.2
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesChemical shift
LogP-0.48
Vapor Pressure0.00144 [mmHg]
Physical DescriptionClear colorless liquid; [Aldrich MSDS]
물리화학적 성질
- 녹는점
- -20 °C · -20°C(lit.)
- 끓는 점
- 93 · 93-96 °C/0.05 mmHg (lit.)
- 밀도
- 1.113 g/mL · 1.113 g/mL at 20 °C (lit.)
- 증기압
- 0.5 · 0.5-0.82Pa at 20-25℃
- 굴절률
- 20 · n20/D 1.465(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- room temp
- 용해도
- 유기용매와 섞일 수 있음.
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- Specific Gravity
- 1.109 · 1.109
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 176 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 14-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33251
Crown ether 15-crown-5: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and moderate eye irritant; Causes tremor, convulsions, and weight loss in dermal lethal-dose studies of rabbits; Causes tremor, convulsions, weight loss, tetany, other changes in lungs, and other liver changes in intraperitoneal lethal-dose studies of rats; [RTECS] An irritant; Harmful by ingestion; [Aldrich MSDS] See 18-Crown-6.
Peroxide Forming Chemical
15-Crown-5 ether
D*: Other compounds that may form peroxides
1 samples, >8 yrs, 1 ppm
Management of time-sensitive chemicals (JCHAS)
Hazard Classes and CategoriesAcute Tox. 4 (98.9%)
독성 정보
Adverse EffectsNeurotoxin - Other CNS neurotoxin
안전 데이터
화학 및 산업
용도 및 제조
General Manufacturing Information1,4,7,10,13-Pentaoxacyclopentadecane: ACTIVE
응용 분야
용도15-Crown-5 is used as an efficient phase transfer catalyst and as a complexing agent. It is used to isolate oxonium ion (H7O3)+ salts especially from a solution of tetrchloroauric acid. It catalyzes the O-alkylation of the sodium salts of carboxylic acids in the penicillin and cephalosporin series, thereby facilitating esterification reaction without usage of acid. It is also used to facilitate the Williamson synthesis of ethers with hindered alcohols and sodium hydride. It is used with lithium aluminum hydride, for performing reduction reactions in hydrocarbon solvents. Further, it is involved in the Horner-Wadsworth-Emmons reaction to prepare stilbenes from aldehydes.
일반 설명15-Crown-5 is a crown ether generally used as a ligand in coordination chemistry because of its strong chelating property with certain alkali cations to form complexes. Some derivatives of 15-crown-5 are used as sensors and probes in different physical-chemical processes, phase-transfer reactions, and selective capture of ions for separation and transport.
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