2,2,3-Trimethylbutanal

HCID 13183276

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 86290-37-1
標準SMILES: CC(C)C(C)(C)C=O
InChIKey: PRFUJBMOTAXNJV-UHFFFAOYSA-N
分子式: C7H14O
平均分子量: 114.19 g/mol
単同位体質量: 114.10446507

名称と識別子

優先名称: 2,2,3-Trimethylbutanal
IUPAC: 2,2,3-trimethylbutanal

名称と別名

2,2,3-trimethylbutanal86290-37-1DTXSID40525484RefChem:242794DTXCID80476289969-348-7Butanal, 2,2,3-trimethyl-2,2,3-trimethyl-butanalSCHEMBL270228SCHEMBL2702292,2,3-trimethyl-butyraldehydeEN300-1619328

データベース識別子

CAS: 86290-37-1
PubChem CID: 13183276
DTXSID: DTXSID40525484
EC Number: 969-348-7

物性

構造計算による物性

XLogP: 1.9
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 82

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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.