Methyl cyclopropyl(hydroxy)acetate

HCID 11073449

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基本情報

CAS: 98730-93-9
標準SMILES: COC(=O)C(O)C1CC1
InChIKey: GZILGVPTLJAVCB-UHFFFAOYSA-N
分子式: C6H10O3
平均分子量: 130.14 g/mol

名称と識別子

優先名称: Methyl cyclopropyl(hydroxy)acetate
IUPAC: methyl 2-cyclopropyl-2-hydroxyacetate
英語名: Methyl 2-cyclopropyl-2-hydroxyacetate
分子式: C6H10O3
分子量: 130.14

名称と別名

98730-93-9methyl cyclopropyl(hydroxy)acetateRefChem:817701834-936-3methyl 2-cyclopropyl-2-hydroxyacetateMFCD16693890Methyl 2-cyclopropyl-2-hydroxy-acetatecyclopropyl-hydroxy-acetic acid methyl esterSCHEMBL1485389SCHEMBL27698799GZILGVPTLJAVCB-UHFFFAOYSA-NYDA73093

名称をさらに表示

Methyl α-hydroxycyclopropaneacetatemethyl 1-cyclopropyl-1-hydroxyacetateCyclopropaneacetic acid, α-hydroxy-, methyl ester

methyl2-cyclopropyl-2-hydroxyacetateAKOS011496314AT46498BS-12395DA-39989SY145609CS-0106465EN300-115960

データベース識別子

CAS: 98730-93-9
PubChem CID: 11073449
EC Number: 834-936-3

物性

構造計算による物性

XLogP: 0.2
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: 9
形式電荷: 0
複雑度: 117

物理化学的性質

沸点: 190.2 · 190.2±13.0 °C(Predicted)
比重(密度): 1.223 · 1.223±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.94 · 12.94±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.