CAS 210647-03-3 2-(1,4-Dioxan-2-yl)acetic acid (HCID 18469226)

기본 정보

CAS: 210647-03-3
표준 SMILES: O=C(O)CC1COCCO1
InChIKey: FWFUSMMVFVVERM-UHFFFAOYSA-N
분자식: C6H10O4
평균 분자량: 146.14 g/mol
단동위원소 질량: 146.0579088

이름 및 식별자

우선 이름: 2-(1,4-Dioxan-2-yl)acetic acid
IUPAC: 2-(1,4-dioxan-2-yl)acetic acid
현지명: 1,4-디옥산-2-아세트산
영어명: 1,4-Dioxane-2-acetic acid
분자식: C6H10O4
분자량: 146.14

이름 및 동의어

2-(1,4-Dioxan-2-yl)acetic acidRefChem:450483835-921-4210647-03-31,4-Dioxane-2-acetic acidMFCD19228692dioxane-acetic acid1,4-dioxane-acetic acidSCHEMBL323060(1,4-Dioxan-2-yl)acetic acidDTXSID40594150FWFUSMMVFVVERM-UHFFFAOYSA-N

이름 더 보기

1,4-디옥산-2-아세트산1,4-dioxan-2-ylacetic acid

2-(1,4-Dioxan-2-yl)aceticacidKIA64703rac-(1,4-dioxan-2-yl)-acetic acidAKOS006375877SB21833(RS)-2-[1,4]dioxan-2-yl-acetic acidAS-34862SY103465

데이터베이스 식별자

CAS: 210647-03-3
PubChem CID: 18469226
DTXSID: DTXSID40594150
EC Number: 835-921-4

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 123

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.