イソプロポキシ酢酸

2-(Propan-2-yloxy)acetic acid

HCID 517213

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 33445-07-7
標準SMILES: CC(C)OCC(=O)O
InChIKey: OAIRTVZAAFZBMR-UHFFFAOYSA-N
分子式: C5H10O3
平均分子量: 118.13 g/mol
単同位体質量: 118.06299418

名称と識別子

優先名称: 2-(Propan-2-yloxy)acetic acid
IUPAC: 2-propan-2-yloxyacetic acid
現地名: イソプロポキシ酢酸
英語名: isopropoxyacetic acid
分子式: C5H10O3
分子量: 118.13

名称と別名

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

名称をさらに表示

イソプロポキシ酢酸2-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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.5
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 77

物理化学的性質

沸点: 113 °C · 113 °C
比重(密度): 1.05 · 1.050±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
外見: liquid
酸解離定数(Pka): 3.49 · 3.49±0.10(Predicted)
色: Colorless

安全と法規制

GHS分類

GHS Classification · 5 件

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.