2,6-ジメチル-5,6-ジヒドロ-2H-ピラン-4(3H)-オン

Tetrahydro-2,6-dimethyl-4H-pyran-4-one

HCID 70626CAS 1073-79-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1CC(=O)CC(C)O1
InChIKey: FZXBJPDVINOGBR-UHFFFAOYSA-N
分子式: C7H12O2
平均分子量: 128.17 g/mol
単同位体質量: 128.08372962

名称と識別子

優先名称: Tetrahydro-2,6-dimethyl-4H-pyran-4-one
IUPAC: 2,6-dimethyloxan-4-one
現地名: 2,6-ジメチル-5,6-ジヒドロ-2H-ピラン-4(3H)-オン
英語名: 2,6-Dimethyltetrahydro-4H-pyran-4-one
分子式: C7H12O2
分子量: 128.17

名称と別名

1073-79-64H-Pyran-4-one, tetrahydro-2,6-dimethyl-Tetrahydro-2,6-dimethyl-4H-pyran-4-oneRefChem:10996772,6-Dimethyldihydro-2H-pyran-4(3H)-one2,6-dimethyltetrahydro-4h-pyran-4-one2,6-dimethyloxan-4-oneMFCD016939652,6-Dimethyl-tetrahydro-pyran-4-one2,6-dimethyltetrahydropyran-4-one(2R,6R)-2,6-DIMETHYLOXAN-4-ONEtrans-2,6-Dimethyloxan-4-one

名称をさらに表示

2,6-ジメチル-5,6-ジヒドロ-2H-ピラン-4(3H)-オン2,6-ジメチルテトラヒドロ-4-ピロン2,6-ジメチルテトラヒドロ-4H-ピラン-4-オン2,6-ジメチルオキサン-4-オンSKL6062,6-dimethyl-4-oxanone2,6-Dimethyltetrahydro-4-pyrone2,6-dimethyltetrahydro-1,4-pyronetetrahydro-2,6-dimethyl-4h-pyran-4-on2,6-Dimethyl-4-oxotetrahydro-2H-pyran

54513-59-6Dimethyltetrahydropyrone(2S,6S)-2,6-dimethyloxan-4-one2,6-Dimethyl tetrahydro-1,4-pyroneAI3-144104H-Pyran-4-one, tetrahydro-2,6-dimethyl-, cis-SCHEMBL614073DTXSID90910285

データベース識別子

CAS: 1073-79-6、54513-59-6
PubChem CID: 70626
DTXSID: DTXSID90910285
EC Number: 142-749-7
Nikkaji: J125.947D

物性

構造計算による物性

XLogP: 0.4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 108

物理化学的性質

沸点: 177.6 °C · 177.6°C (rough estimate)
比重(密度): 0.9805 · 0.9805 (rough estimate)
屈折率: 1.45 · 1.4500 (estimate)
貯蔵温度: 2 · 2-8°C
外見: liquid
色: Pale yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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.