2-(옥솔란-2-일)아세트산

2-(Oxolan-2-yl)acetic acid

HCID 228726

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2434-00-6
표준 SMILES: O=C(O)CC1CCCO1
InChIKey: IEDVQOXHVRVPIX-UHFFFAOYSA-N
분자식: C6H10O3
평균 분자량: 130.14 g/mol
단동위원소 질량: 130.06299418

이름 및 식별자

우선 이름: 2-(Oxolan-2-yl)acetic acid
IUPAC: 2-(oxolan-2-yl)acetic acid
현지명: 2-(옥솔란-2-일)아세트산
영어명: 2-(oxolan-2-yl)acetic acid
분자식: C6H10O3
분자량: 130.14

이름 및 동의어

2-(oxolan-2-yl)acetic acidRefChem:461689827-176-92434-00-62-(tetrahydrofuran-2-yl)acetic acid2-tetrahydrofuran-2-ylacetic acidtetrahydrofuran-2-ylacetic acidTetrahydro-2-furanylacetic acidMFCD039905662-Furanacetic acid, tetrahydro-2-(2-tetrahydrofuranyl)acetic acidNSC21831

이름 더 보기

2-(옥솔란-2-일)아세트산2-(2-oxolanyl)acetic acid22-(oxolan-2-yl)acetic acid(2S)-oxolan-2-ylacetic acidtetrahydro-2-furylacetic acid

2-oxolan-2-ylacetic acidtetrahydrofuran-acetic acidrac-tetrahydrofuran-2-ylacetic acidGEO-03426Tetrahydro-2-furanacetic acid2-(tetrahydrofuryl)acetic acid2-furanacetic acid,tetrahydro-2-(oxolan-2-yl)ethanoic acid

데이터베이스 식별자

CAS: 2434-00-6
PubChem CID: 228726
DTXSID: DTXSID00281498
EC Number: 827-176-9
Nikkaji: J316.282F

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

물리화학적 성질

끓는 점: 144 · 144-146 °C(Press: 16 Torr)
밀도: 1.1468 g/cm3 · 1.1468 g/cm3
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 4.36 · 4.36±0.10(Predicted)
InChI: InChI=1S/C6H10O3/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2,(H,7,8)
InChIKey: IEDVQOXHVRVPIX-UHFFFAOYSA-N
SMILES: O1CCCC1CC(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.