基本情報
- 標準SMILES
CC(C)O[PH](=O)OC(C)C- InChIKey
BLKXLEPPVDUHBY-UHFFFAOYSA-N- 分子式
- C6H15O3P
- 平均分子量
- 166.16 g/mol
- 単同位体質量
- 166.07588133
名称と識別子
- 優先名称
- Diisopropyl phosphite
- IUPAC
- 2-propan-2-yloxyphosphonoyloxypropane
- 現地名
- 亜りん酸ジイソプロピル
- 英語名
- Diisopropyl phosphite
- 分子式
- C6H15O3P
- 分子量
- 166.16
名称と別名
名称をさらに表示
データベース識別子
- CAS
1809-20-7- PubChem CID
- 3072
- DTXSID
DTXSID7061988- EC Number
- 217-317-7
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 99
実験および物理化学的性質
物理化学的性質
- 沸点
- 71 °C · 71 °C (8 mmHg)
- 比重(密度)
- 0.997 · 0.997
- 屈折率
- 1.4065 · 1.4065-1.4085
- 闪点
- 69 °C · 69°C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- クロロホルム(少量)、メタノール(少量)
- 外見
- 液体
- 比重
- 1 · 1
- 色
- 無色透明
- 水溶解度
- 溶ける
- InChI
- InChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
- InChIKey
- BLKXLEPPVDUHBY-UHFFFAOYSA-N
- SMILES
- P(=O)(OC(C)C)OC(C)C
- CAS データベース
- 1809 · 1809-20-7(CAS DataBase Reference)
- NISTの化学物質情報
- Phosphonic acid, di-isopropyl ester(1809-20-7)
- EPAの化学物質情報
- Phosphonic acid, bis(1-methylethyl) ester (1809-20-7)
化学的性質
化学的特性clear colourless liquid, corrosive, soluble in organic solvents such as ethanol.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 78.2% (43 of 55) of all reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (16.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 55 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 43 of 55 reports by companies.;There are 9 notifications provided by 12 of 55 reports by companies with hazard statement code(s).;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
Regulatory Information
Chemical: Phosphonic acid, bis(1-methylethyl) ester
Phosphonic acid, bis(1-methylethyl) ester: 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 Summary
Causes convulsions and lung changes in inhalation lethal-concentration studies of rats, mice, and guinea pigs; [RTECS] A skin and strong eye irritant; Harmful by inhalation; Toxic by ingestion; [Alfa Aesar MSDS] See Dimethyl hydrogen phosphite.
毒性情報
法規制情報
Regulatory Information
Chemical: Phosphonic acid, bis(1-methylethyl) ester
Phosphonic acid, bis(1-methylethyl) ester: 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.
安全データ
- tsca
- TSCA listed
- rtecs
- SZ7660000
- ridadr
- 3265
- 毒性
- guinea pig,LC50,inhalation,9010mg/m3 (9010mg/m3),LUNGS, THORAX, OR RESPIRATION: OTHER CHANGESGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDSBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(11), Pg. 51, 1985.
- hs_code
- 29209085
- risk_code
- 36/37/38-22
- 化審法
- (2)-2001, (2)-1961
- 消防法
- 危-4-3-III
- hazard_code
- Xn
- safety_code
- 37/39-26
化学と産業
用途と製造
調製方法
製造方法Diisopropyl phosphite is prepared by directly reacting isopropanol with phosphorus trichloride.3(CH3)2CHOH+PCl3→[(CH3)2CHO]2POH+2HCl↑+(CH3)2CHClAt a ratio of 3:1 (mol), continuously feed 215kg/h of isopropanol and 150kg/h of phosphorus trichloride. When mixed, this results in a violent reaction that generates hydrogen chloride gas. This gas is quickly removed from the mixing pot using vacuum mercury. The crude ester produced is then heated in a falling film type spinner deacidification device and further deacidified. The resulting product is then cooled to below 40°C and obtained with a content of 92%-95% and a yield of 95%~98%.
上流・下流製品情報
上流原料
下流製品
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