CAS 62075-55-2 2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid (HCID 10909699)

基本情報

CAS: 62075-55-2
標準SMILES: CC1(C)OCC(C(=O)O)O1
InChIKey: OZPFVBLDYBXHAF-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-Dimethyl-1,3-dioxolane-4-carboxylic acid
IUPAC: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
英語名: 2,2-Dimethyl-1,3-Dioxolane-4-Carboxylic Acid
分子式: C6H10O4
分子量: 146.1412

名称と別名

2,2-dimethyl-1,3-dioxolane-4-carboxylic Acid62075-55-2DTXSID80977665RefChem:1059104DTXCID108727105736-06-1MFCD097438792,2-Dimethyl[1,3]dioxolane-4-carboxylic acid(rec.) 2,2-Dimethyl-1,3-dioxolane-4-carboxylic acidSCHEMBL1030224SCHEMBL8875465OZPFVBLDYBXHAF-UHFFFAOYSA-N

名称をさらに表示

2,2-Dimethyl-1,3-dioxolane-4-carboxylic1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-

AKOS015892908DS-1930SB45284SY113368DB-0500492,2-Dimethyl-1,3-dioxolane-4-carboxylicacidF208964racemic 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

データベース識別子

CAS: 62075-55-2
PubChem CID: 10909699
DTXSID: DTXSID80977665
EC Number: 688-990-6
Nikkaji: J2.683.534H

物性

構造計算による物性

XLogP: 0
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: 1
重原子数: 10
形式電荷: 0
複雑度: 152

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.