Isobutyl ketone

CAS 108-83-8 · C₉H₁₈O · MW 142.24 g/mol

关于 Isobutyl ketone

Isobutyl ketone 是一种化学品，登记号为 CAS 108-83-8，分子式为 C₉H₁₈O，摩尔质量为 142.24 g/mol。

该分子包含 28 个原子，通过 27 个化学键连接。该化合物的完整系统 IUPAC 名称为 2,6-dimethylheptan-4-one。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = 2.5 (正值，亲脂性化合物)，极性表面积 PSA = 17.1 Å²，0 个氢键供体和 1 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₉H₁₈O
Masa molowa	142.24 g/mol
IUPAC	2,6-dimethylheptan-4-one
SMILES	`CC(C)CC(=O)CC(C)C`
InChIKey	`PTTPXKJBFFKCEK-UHFFFAOYSA-N`
logP (XLogP3)	2.5
PSA	17.1 Å²
HBD / HBA	0 / 1
PubChem CID	CID 7958 ↗

GHS 安全

Signal word: Warning

GHS02

GHS02

GHS07

GHS07

H226 — Łatwopalna ciecz i pary

H335 — Może powodować podrażnienie dróg oddechowych

科学文献

Related literature

15 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (15 articles)

Bar height = number of articles per year. Hover dla szczegółów.

Enthalpies of vaporization and cohesive energies of hexan-2-one, 2-methylpentan-4-one, 2,2-dimethylbutan-3-one, 2,6-dimethylheptan-4-one, and cyclohexanone

V. Svoboda, V. Kubes̆, P. Basar̆ová (1992) · The Journal of Chemical Thermodynamics

Cytowania: 7$ PaywallDOI ↗

Dielectric constant of the mixture (1) chlorobenzene; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) toluene; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) butanoic acid; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) propanoic acid; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) propan-1-ol; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) cyclohexane; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) benzene; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) bromobenzene; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) tetrachloromethane; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) pentan-1-ol; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) butan-1-ol; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) heptane; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) acetic acid; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dielectric constant of the mixture (1) 1,4-dimethylbenzene; (2) 2,6-dimethylheptan-4-one

Ch. Wohlfarth (2008) · Landolt-Börnstein - Group IV Physical Chemistry

$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

2,6-Dimethyl-4-heptanone · 2,6-Dimethylheptan-4-one · 108-83-8 · DIISOBUTYL KETONE · Isovalerone · Isobutyl ketone · s-Diisopropylacetone · Valerone · DIBK · Diisobutilchetone · Di-isobutylcetone · 4-Heptanone, 2,6-dimethyl- · Diisobutylketon · sym-Diisopropylacetone · sec-Diisopropyl acetone

数据来源

📊 PubChem CID 7958 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność

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📜 许可与来源MolGod_License_1

GRAVEREDNORMAL

Isobutyl ketone (CAS 108-83-8), C9H18O - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL preview

MG-STL-108-83-8-GRAVERED · 303,014 △ · 14 MB · SHA-256 0827e7d7168c60a1

下载 3D 模型 · C H O

Isobutyl ketone (CAS 108-83-8), C9H18O - 3D ball-and-stick molecular model, MolGod STL preview

MG-STL-108-83-8-NORMAL · 11,552 △ · 564 KB · SHA-256 666a87ec6eb68177

下载 3D 模型

模型: Isobutyl ketone · 108-83-8
InChIKey: PTTPXKJBFFKCEK-UHFFFAOYSA-N
许可协议: CC BY-SA 4.0 International
署名: MolGod Scientific — Isobutyl ketone (CAS 108-83-8)
许可与来源记录: Isobutyl ketone (CAS 108-83-8) →
MolGod 分子记录: Isobutyl ketone →
源数据: PubChem CID 7958 ↗
模型信息: 由 MolGod 生成的 STL · MolGod STL Exporter @ 8b6dfdd · 生成于 2026-09-25
SHA-256 (STL): 666a87ec6eb68177ab8bbf0b09ee010f89e2a65995bd32f0fb91bd02ca8e6c62
MD5 (STL): 908d256dd195c1a1a73cbce84deb331a
模型标识符: MG-STL-108-83-8
转换: MolGod Scientific 球棍模型网格
更改: 转换为三角化分子网格；原子坐标与连接关系未改变。
Wikimedia Commons: 尚未发布

📄 下载 3D 模型 (564 KB)📄 下载 3D 模型 · C H O · (14 MB)

本许可适用于 MolGod 创建的 STL 网格，不自动适用于第三方源材料。