CAS 20117-47-9 1-Methylcyclobutanol (HCID 140642)

基本情報

CAS: 20117-47-9
標準SMILES: CC1(O)CCC1
InChIKey: DQWVUKFABWSFJD-UHFFFAOYSA-N
分子式: C5H10O
平均分子量: 86.13 g/mol
単同位体質量: 86.07316494

名称と識別子

優先名称: 1-Methylcyclobutanol
IUPAC: 1-methylcyclobutan-1-ol
英語名: 1-Methylcyclobutanol
分子式: C5H10O
分子量: 86.13

名称と別名

1-Methylcyclobutanol20117-47-9cyclobutanol, 1-methyl-DTXSID90173934RefChem:76372DTXCID6096425InChI=1/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H1-methylcyclobutan-1-ol1-methyl-cyclobutanolMFCD012188901-methyl-1-cyclobutanolAKOS017507568

名称をさらに表示

1-methylcyclobutan-1-ol - [M84515]

SB83820PS-17927SY196215CS-0168123EN300-833891-Methylcyclobutan-1-oFT-0747589SCHEMBL128025

データベース識別子

CAS: 20117-47-9
PubChem CID: 140642
DTXSID: DTXSID90173934
EC Number: 819-559-4
Nikkaji: J843.685A

物性

構造計算による物性

XLogP: 0.4
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 55

物理化学的性質

沸点: 117 · 117-120 °C
比重(密度): 0.902 g/cm3 · 0.902 g/cm3
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 15.38 · 15.38±0.20(Predicted)
InChI: InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3
InChIKey: DQWVUKFABWSFJD-UHFFFAOYSA-N
SMILES: C1(C)(O)CCC1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.