2-(2-Methyl-1,3-dioxolan-2-yl)acetic acid

HCID 560044

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5735-97-7
標準SMILES: CC1(CC(=O)O)OCCO1
InChIKey: FTKBXLIEUSEMPP-UHFFFAOYSA-N
分子式: C6H10O4
平均分子量: 146.14 g/mol
単同位体質量: 146.0579088

名称と識別子

優先名称: 2-(2-Methyl-1,3-dioxolan-2-yl)acetic acid
IUPAC: 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
英語名: 2-(2-Methyl-1.3-dioxolan-2-yl)acetic acid
分子式: C6H10O4
分子量: 146.14

名称と別名

2-(2-methyl-1,3-dioxolan-2-yl)acetic acid5735-97-7RefChem:454124871-339-72-(2-METHYL-1.3-DIOXOLAN-2-YL)ACETIC ACIDMFCD056258171,3-Dioxolane-2-acetic acid, 2-methyl-(2-methyl-[1,3]dioxolan-2-yl)-acetic acid(2-Methyl-1,3-dioxolan-2-yl)acetic acidSCHEMBL40974953,3-ethylenedioxy-butanoic acid2-methyldioxolan-2-ylacetic acid

名称をさらに表示

2-methyldioxolane-2-ylacetic acidFAA73597AKOS000291349AS-65110SY4212892-(2-methyl-1,3-dioxolan-2-yl)aceticacidCS-0060072(2-Methyl-1,3-dioxolan-2-yl)acetic acid #

データベース識別子

CAS: 5735-97-7
PubChem CID: 560044
EC Number: 871-339-7
Nikkaji: J1.416.474J

物性

構造計算による物性

XLogP: -0.4
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 137

物理化学的性質

貯蔵温度: Store at room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

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.