CAS 61449-65-8 2-Methyloxolane-2-carboxylic acid (HCID 3164326)

기본 정보

CAS: 61449-65-8
표준 SMILES: CC1(C(=O)O)CCCO1
InChIKey: WMQAQMYIZDJCDJ-UHFFFAOYSA-N
분자식: C6H10O3
평균 분자량: 130.14 g/mol
단동위원소 질량: 130.06299418

이름 및 식별자

우선 이름: 2-Methyloxolane-2-carboxylic acid
IUPAC: 2-methyloxolane-2-carboxylic acid
현지명: 2-메틸-테트라히드로-푸란-2-카르복실산
영어명: 2-METHYL-TETRAHYDRO-FURAN-2-CARBOXYLIC ACID
분자식: C6H10O3
분자량: 130.14

이름 및 동의어

2-methyloxolane-2-carboxylic acidRefChem:476132852-290-061449-65-82-methyltetrahydrofuran-2-carboxylic acid2-Methyl-tetrahydro-furan-2-carboxylic acidMFCD06809613Tetrahydro-2-methyl-2-furancarboxylic Acid2-Methyltetrahydro-2-furancarboxylic acidSCHEMBL1626773AKOS000321375AKOS016344687

이름 더 보기

2-메틸-테트라히드로-푸란-2-카르복실산Albb-005264ASINEX-REAG BAS 131493832-methyloxolane-2-carboxylic acid - [M87089]2-Furancarboxylic acid, tetrahydro-2-methyl-2-methyltetrahydrofuran-2-carboxylic acid(SALTDATA: FREE)

methyl tetrahydrofuran-2-carboxylic acidSY012393F8881-64032-Methyltetrahydrofuran-2-carboxylicAcidA8521FT-0704620DTXSID603903782-Methyl-2-tetrahydrofuroic Acid

데이터베이스 식별자

CAS: 61449-65-8
PubChem CID: 3164326
DTXSID: DTXSID60390378
EC Number: 852-290-0

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 239.6 · 239.6±33.0 °C(Predicted)
밀도: 1.178 · 1.178±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: soluble in DMSO, Diethyl Ether
물리적 상태: 기름
산도 계수 (pKa): 3.76 · 3.76±0.20(Predicted)
색상: 무색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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