이소프로폭시아세트산

2-(Propan-2-yloxy)acetic acid

HCID 517213CAS 33445-07-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)OCC(=O)O
InChIKey: OAIRTVZAAFZBMR-UHFFFAOYSA-N
분자식: C5H10O3
평균 분자량: 118.13 g/mol
단동위원소 질량: 118.06299418

이름 및 식별자

우선 이름: 2-(Propan-2-yloxy)acetic acid
IUPAC: 2-propan-2-yloxyacetic acid
현지명: 이소프로폭시아세트산
영어명: isopropoxyacetic acid
분자식: C5H10O3
분자량: 118.13

이름 및 동의어

2-(propan-2-yloxy)acetic acidRefChem:462032810-738-2Isopropoxyacetic acid33445-07-72-Isopropoxyacetic acidisopropoxy-acetic acid2-propan-2-yloxyacetic acidMFCD09055367Acetic acid, (1-methylethoxy)-2-(1-METHYLETHOXY)-ACETIC ACIDi-propoxyacetic acid

이름 더 보기

이소프로폭시아세트산2-isopropoxyaceticacidUKRORGSYN-BB BBV-0831562-propan-2-yloxyethanoic acidAcetic acid, 2-(1-methylethoxy)-isopropoxyacetic acid(SALTDATA: FREE)

(1-methylethoxy)acetic acid(propan-2-yloxy)acetic acidSCHEMBL56720SCHEMBL6923372-(1-Methylethoxy)acetic acidSCHEMBL3953257SCHEMBL8042086[(Propan-2-yl)oxy]acetic acid

데이터베이스 식별자

CAS: 33445-07-7
PubChem CID: 517213
DTXSID: DTXSID50333693
EC Number: 810-738-2
Nikkaji: J1.162.016G

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 77

물리화학적 성질

끓는 점: 113 °C · 113 °C
밀도: 1.05 · 1.050±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 3.49 · 3.49±0.10(Predicted)
색상: 무색의

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.