2-(3-Butynyloxy)tetrahydro-2H-pyran

HCID 142440

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40365-61-5
표준 SMILES: C#CCCOC1CCCCO1
InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYSA-N
분자식: C9H14O2
평균 분자량: 154.21 g/mol
단동위원소 질량: 154.09937969

이름 및 식별자

우선 이름: 2-(3-Butynyloxy)tetrahydro-2H-pyran
IUPAC: 2-but-3-ynoxyoxane
영어명: 2-(3-Butynyloxy)tetrahydro-2 H-pyran
분자식: C9H14O2
분자량: 154.21

이름 및 동의어

2-(3-Butynyloxy)tetrahydro-2H-pyranDTXSID90875820RefChem:455308DTXCID501002496628-704-9NOCAS_87582040365-61-52-(But-3-yn-1-yloxy)tetrahydro-2H-pyran2-but-3-ynoxyoxane2-(but-3-yn-1-yloxy)oxane2-(3-BUTYNYLOXY)TETRAHYDRO-2 H-PYRANMFCD00012352

이름 더 보기

considered2-(3-Butynyloxy)tetrahydo-2H-pyran2-(But-3-yn-1-Yloxy)Tetrahydropyran2-(3-Butynyloxy)tetrahydropyran, 98%2-(3-butylyneoxy)tetrahydro-2H-pyran2H-Pyran, 2-(3-butyn-1-yloxy)tetrahydro-

2H-Pyran, 2-(3-butynyloxy)tetrahydro-2-but-3-ynoxytetrahydropyran1-(tetrahydropyran-2-yloxy)-3-butyne2-(but-3-ynyloxy)tetrahydro-2H-pyran3-Butynyl tetrahydro-2H-pyran-2-yl etherNSC2549484-[(tetrahydro-2H-pyran-2-yl)oxy]-1-butyneTetrahydropyranyloxy-3-butyne

데이터베이스 식별자

CAS: 40365-61-5
PubChem CID: 142440
DTXSID: DTXSID90875820
EC Number: 628-704-9
Nikkaji: J111.060H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 96 · 96-104 °C
끓는 점: 92 · 92-95 °C18 mm Hg(lit.)
밀도: 0.984 g/mL · 0.984 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.457(lit.)
인화점: 163 °F · 163 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 기름
색상: 투명 무색
InChI: 1S/C9H14O2/c1-2-3-7-10-9-6-4-5-8-11-9/h1,9H,3-8H2
InChIKey: ZQZSNKJFOFAJQX-UHFFFAOYSA-N
SMILES: C#CCCOC1CCCCO1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: UN1993
HS 번호: 29329900
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-28-37/39
위험 등급: 3
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도2-(3-Butynyloxy)tetrahydropyran is used as a reagent in the synthesis of Phomoidride D, a bridged, polycyclic, natural compound that has the ability to inhibit squalene synthase and can be used as an antihypercholesterolemic agent. It is also used as a reagent to prepare Rugulactone, a natural compound that is isolated from Cryptocarya rugulosa.