CAS 14590-53-5 (1S)-2,2-Dimethylcyclopropane-1-carboxylic acid (HCID 10192561)

基本情報

CAS: 14590-53-5
標準SMILES: CC1(C)C[C@@H]1C(=O)O
InChIKey: BFNMOMYTTGHNGJ-SCSAIBSYSA-N
分子式: C6H10O2
平均分子量: 114.14 g/mol
単同位体質量: 114.06807956

名称と識別子

優先名称: (1S)-2,2-Dimethylcyclopropane-1-carboxylic acid
IUPAC: (1S)-2,2-dimethylcyclopropane-1-carboxylic acid
現地名: (S)-(+)-2,2-ジメチルシクロプロパンカルボン酸
英語名: (S)-(+)-2,2-DIMETHYLCYCLOPROPANE CARBOXYLIC ACID
分子式: C6H10O2
分子量: 114.14

名称と別名

14590-53-5(1S)-2,2-dimethylcyclopropane-1-carboxylic acidDTXSID20436524RefChem:393851DTXCID00387348(+)-2,2-dimethylcyclopropanecarboxylic acid679-761-1(S)-2,2-Dimethylcyclopropanecarboxylic acid(S)-(+)-2,2-Dimethylcyclopropanecarboxylic Acid(S)-(+)-2,2-dimethylcyclopropane carboxylic acidMFCD08460918Cyclopropanecarboxylic acid, 2,2-dimethyl-, (1S)-

名称をさらに表示

(S)-(+)-2,2-ジメチルシクロプロパンカルボン酸(S)-(+)-DMCPCADimethylcyclopropanecarboxylic acid(S)-2,2-Dimethyl cycolpropanecarboxylic acid(S)-(+)-2,2-DimethylcyclopropanecarboxylicAcid>

(S)-2,2-Dimethylcyclopropane-1-carboxylic acidSCHEMBL2681249CL4550AKOS015842158CS-W019469(S)-2,2-DimethylcyclopropanecarboxylicacidEN300-116732(1S)-2,2-dimethylcyclopropanecarboxylic acid

データベース識別子

CAS: 14590-53-5
PubChem CID: 10192561
DTXSID: DTXSID20436524
EC Number: 679-761-1
Nikkaji: J1.031.225F

物性

構造計算による物性

XLogP: 1.1
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 126

物理化学的性質

沸点: 100 °C · 100 °C / 12mmHg
比重(密度): 0.99 · 0.99
屈折率: 124 ° · 124 ° (C=1, MeOH)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.99 · 4.99±0.22(Predicted)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.