3-ウンデカノン

3-Undecanone

HCID 75189CAS 2216-87-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCC(=O)CC
InChIKey: YNMZZHPSYMOGCI-UHFFFAOYSA-N
分子式: C11H22O
平均分子量: 170.29 g/mol
単同位体質量: 170.16706532

名称と識別子

優先名称: 3-Undecanone
IUPAC: undecan-3-one
現地名: 3-ウンデカノン
英語名: 3-Undecanone
分子式: C11H22O
分子量: 170.29

名称と別名

3-UndecanoneUndecan-3-oneEthyl octyl ketoneEINECS 218-700-1DTXSID20176695NSC 158429Undecan3oneRefChem:95502DTXCID2099186218-700-1YNMZZHPSYMOGCI-UHFFFAOYSA-N2216-87-7

名称をさらに表示

3-ウンデカノンウンデカン-3-オン3-ヘンデカノンエチルオクチルケトンエチル n-オクチルケトン3-hendecanoneUndecane-3-one3-Undecanone,98%3-UNDECANONE 98%Ethyloctylketone3-Undecanone, ≥ 85.0%

ETHYL n-OCTYL KETONEundecan-9-oneSCHEMBL888107SCHEMBL7806715SCHEMBL7840044SCHEMBL9114320CAA21687LMFA12000060

データベース識別子

CAS: 2216-87-7
PubChem CID: 75189
DTXSID: DTXSID20176695
EC Number: 218-700-1
Nikkaji: J121.214A

物性

構造計算による物性

XLogP: 4.2
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: 8
重原子数: 12
形式電荷: 0
複雑度: 108

実験および物理化学的性質

Physical DescriptionColorless liquid; mp = 12-13 deg C; [Alfa Aesar MSDS]

Kovats Retention Index · 3 件

1268；1269

1255；1298；1283；1283

1586；1571；1555

物理化学的性質

融点: 8 · 8-10°C
沸点: 225 · 225-229°C
比重(密度): 0 · 0,832 g/cm3
屈折率: 1.429 · 1.4290
闪点: 89 °C · 89°C
溶解性: Insoluble in water, soluble in alcohol and oils
外見: clear liquid
色: Colorless to Yellow
臭い (Odor): Fruity, aldehydic-herbal odor, more fruity than Methyl nonyl ketone and less.
BRN: 1749500 · 1749500
LogP: 4.034 · 4.034 (est)
CAS データベース: 2216 · 2216-87-7(CAS DataBase Reference)

化学的性質

化学的特性Colorless transparent liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 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.

危険有害性情報

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 2 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

hs_code: 2914.19.0000
消防法: 危-4-3-III

化学と産業

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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]