3-Butylpentane-2,4-dione 分子结构式
HCID73763

3-Butylpentane-2,4-dione

C9H16O2156.22 g/molCAS 1540-36-9

IDENTITY

结构与身份

标准SMILES
CCCCC(C(C)=O)C(C)=O
InChIKey
MBXOOYPCIDHXGH-UHFFFAOYSA-N
分子式
C9H16O2
平均分子量
156.22 g/mol
单同位素质量
156.11502975

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
34.1 Ų
氢键供体
0
氢键受体
2
可旋转键
5
重原子
11
形式电荷
0
复杂度
136

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Irrit. 2 (100%);Aquatic Chronic 4 (100%)

ALIASES

名称与别名

共 34 条
3-n-Butyl-2,4-pentanedione3-Butylpentane-2,4-dione3-Butyl-2,4-pentanedione3-Acetyl-2-heptanone6C6N2RN9MMNSC-2249EINECS 216-274-13-Butylpentanedione-2,4AI3-19271DTXSID501655123-BUTYLPENTAN-2,4-DIONENSC 22493-(1-BUTYL)-PENTANE-2,4-DIONERefChem:93303DTXCID9088003216-274-1MBXOOYPCIDHXGH-UHFFFAOYSA-N1540-36-93-Butylacetylacetone2,4-PENTANEDIONE, 3-BUTYL-

REACTIONS

参与反应

6
HRID 628544 反应方程式

uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09314023B2

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HRID 732322 反应方程式

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07586117B2

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HRID 809493 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 891066 反应方程式

uspto-grants-2006_02 · 10.6084/m9.figshare.5104873.v1 · US07001917B2

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HRID 1712236 反应方程式

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07791069B2

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HRID 2078022 反应方程式

uspto-grants-2011_04 · 10.6084/m9.figshare.5104873.v1 · US07928221B2

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