ウンデカンニトリル

Undecanenitrile

HCID 16722CAS 2244-07-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCCCCCCC#N
InChIKey: SZKKNEOUHLFYNA-UHFFFAOYSA-N
分子式: C11H21N
平均分子量: 167.29 g/mol
単同位体質量: 167.16739967

名称と識別子

優先名称: Undecanenitrile
IUPAC: undecanenitrile
現地名: ウンデカンニトリル
英語名: UNDECANENITRILE
分子式: C11H21N
分子量: 167.29

名称と別名

UNDECANENITRILE1-CyanodecaneUndecanonitrileDecyl Cyaniden-Undecanonitrilen-Decyl cyanidehendecanenitrileBQC7C2WO2KUndecanoic acid nitrile1-DECYL CYANIDENSC-4026UNII-BQC7C2WO2K

名称をさらに表示

ウンデカンニトリルデシルシアニドn-ヘンデカノニトリルNISTC2244077n-HendecanonitrileN-UNDECANONITRILE 95+%UNDECANOIC ACID NITRILE 97%

DTXSID3062289NSC 4026EINECS 218-826-7AI3-28302nUndecanonitrile1CyanodecaneRefChem:193081DTXCID4036697

データベース識別子

CAS: 2244-07-7
PubChem CID: 16722
DTXSID: DTXSID3062289
UNII: BQC7C2WO2K
EC Number: 218-826-7
Nikkaji: J45.683G

物性

構造計算による物性

XLogP: 4.2
極性表面積: 23.8 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: 120

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Undecanenitrile) -> IFRA transparency List

Physical DescriptionColorless liquid; [MSDSonline]

物理化学的性質

融点: -5.8 °C · -5.8°C
沸点: 129 °C · 129 °C / 11mmHg
比重(密度): 0 · 0,82 g/cm3
屈折率: 1.431 to · 1.4310 to 1.4350
水溶解度: Insoluble in water
外見: clear liquid
色: Colorless to Almost colorless
Henry's Law Constant: 6.1 · 6.1×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Dielectric constant: 10.86 · 10.859999999999999
LogP: 4.252 · 4.252 (est)
CAS データベース: 2244 · 2244-07-7(CAS DataBase Reference)
EPAの化学物質情報: Undecanenitrile (2244-07-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationUndecanenitrile: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

安全データ

tsca: TSCA listed
ridadr: 3276
hs_code: 2926.90.5050
risk_code: 20/21/22-36/37/38
化審法: (2)-1507
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 23-36/37/39-27-26
毒劇物取締法: 劇物

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

General Manufacturing InformationUndecanenitrile: ACTIVE

上流・下流製品情報

下流製品

1-アミノウンデカンデカン

サプライヤー27 社

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]