基本情報
- 標準SMILES
CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC- InChIKey
ZMBHCYHQLYEYDV-UHFFFAOYSA-N- 分子式
- C24H51OP
- 平均分子量
- 386.6 g/mol
- 単同位体質量
- 386.36775288
名称と識別子
- 優先名称
- Trioctylphosphine oxide
- IUPAC
- 1-dioctylphosphoryloctane
- 現地名
- トリ-n-オクチルホスフィンオキシド
- 英語名
- Trioctylphosphine oxide
- 分子式
- C24H51OP
- 分子量
- 386.63
名称と別名
名称をさらに表示
データベース識別子
- CAS
78-50-2- PubChem CID
- 65577
- DTXSID
DTXSID1052537- UNII
- EXU8U2AM5A
- EC Number
- 201-121-3
- Nikkaji
- J57.794D
物性
構造計算による物性
- XLogP
- 9.6
- 極性表面積
- 17.1 Ų
- 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
- 21
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 266
実験および物理化学的性質
物理化学的性質
- 融点
- 50 · 50-52 °C(lit.)
- 沸点
- 201 · 201-202 °C2 mm Hg(lit.)
- 比重(密度)
- 0 · 0,88 g/cm3
- 蒸気圧
- 0.004 Pa · 0.004Pa at 50℃
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 1 g/l · <1g/l
- 外見
- 結晶性粉末、結晶またはフレーク
- 色
- 白色~やや黄色
- 水溶解度
- 不溶性
- BRN
- 1796648 · 1796648
- Henry's Law Constant
- 8.2 · 8.2×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChI
- 1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
- InChIKey
- ZMBHCYHQLYEYDV-UHFFFAOYSA-N
- SMILES
- CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC
- LogP
- 9.54 · 9.54
- CAS データベース
- 78 · 78-50-2(CAS DataBase Reference)
- EPAの化学物質情報
- Phosphine oxide, trioctyl- (78-50-2)
化学的性質
化学的特性white crystalline powder
安全と法規制
GHS分類
GHS Classification
Danger
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phosphine oxide, trioctyl-
Status: Active Update: 01-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16452
Phosphine oxide, trioctyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate skin and severe eye irritant; Causes changes in liver and kidney weights and other musculoskeletal changes in 30-day intermittent dermal studies of rats; [RTECS] An irritant that may cause serious eye injury; [Sigma-Aldrich MSDS] See Phosphine oxide. See Triphenylphosphine oxide.
安全と保護具
Protective Action Criteria (PAC)
1 [mg/m3]
11 [mg/m3]
68 [mg/m3]
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SZ1662500
- ridadr
- 3261
- 毒性
- LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rat 2830 mg/kg
- hs_code
- 32019090
- risk_code
- 38-41-50/53-34
- 化審法
- (2)-2937
- hazard_code
- Xi,Hazard
- safety_code
- 26-36/39-39-61-60-45-36/37/39
- packing_group
- II
- 自然発火温度
- 270 °C
- Hazard Classifications
- Aquatic Chronic 3Eye Dam. 1Skin Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
使用Trioctylphosphine oxide (TOPO) is most commonly used as the solvent due to its high boiling point and chemical stability, and its ability to prevent particle aggregation via coordination to the NP surface. trioctylphosphine oxide is a frequently used surfactant, starts to decompose at around 425℃.
一般的な説明Visit our Sensor Applications portal to learn more.
調製方法
純化方法Mason, McCarty and Peppard [J Inorg Nuclear Chem 24 967 1962] stirred a 0.1M solution in *benzene with an equal volume of 6M HCl at 40o in a sealed flask for 48hours, then washed the *benzene solution successively with water (twice), 5% aqueous Na2CO3 (three times) and water (six times). The *benzene and water were then evaporated under reduced pressure at room temperature. Zingaro and White [J Inorg Nucl Chem 12 315 1960] treated a pet ether solution with aqueous KMnO4 (to oxidise any phosphinous acids to phosphinic acids), then with sodium oxalate, H2SO4 and HCl (to remove any manganese compounds). The pet ether solution was slurried with activated alumina (to remove phosphinic acids), filtered, evaporated and the residue was recrystallised from pet ether or cyclohexane at -20o. It can also be recrystallised from EtOH. [Beilstein 4 IV 3466.]
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補足説明
定義本品は、自然界に存在する元素(P)である。
関連反応
関連ノート
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