基本情報
- 標準SMILES
CCOP(=O)(CC)OCC- InChIKey
AATNZNJRDOVKDD-UHFFFAOYSA-N- 分子式
- C6H15O3P
- 平均分子量
- 166.16 g/mol
- 単同位体質量
- 166.07588097
概要
Diethyl ethylphosphonate is a colorless liquid with a mild odor. (NTP, 1992)
名称と識別子
- 優先名称
- Diethyl ethylphosphonate
- IUPAC
- 1-[ethoxy(ethyl)phosphoryl]oxyethane
- 現地名
- エチルホスホン酸 ジエチル
- 英語名
- Diethyl ethylphosphonate
- 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
78-38-6- PubChem CID
- 6534
- DTXSID
DTXSID7025051- ChEMBL
CHEMBL1299387- UNII
- Y52Q01P44T
- EC Number
- 201-111-9
- Nikkaji
- J98.166D
物性
構造計算による物性
- XLogP
- 0.6
- 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
- 5
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 114
実験および物理化学的性質
Density
1.0259 at 68 °F (NTP, 1992) - Denser than water; will sink
1.0259 @ 20 °C/4 °C
1.0259 @ 20°C
Solubility
Slightly soluble (NTP, 1992)
SLIGHTLY SOL IN WATER; SOL IN ALC, ETHER
MISCIBLE WITH MOST COMMON ORG SOLVENTS
Flash Point
220 °F (NTP, 1992)
221 °F OC
Boiling Point
180 to 181 °F at 11 mmHg (NTP, 1992)
198 °C @ 760 MM HG
198 °C @760 [mm Hg]
物理化学的性質
- 沸点
- 82 · 82-83 °C (11 mmHg)
- 比重(密度)
- 1.024 g/mL · 1.024 g/mL at 20 °C(lit.)
- 蒸気圧
- 7.2 hPa · 7.2hPa at 20℃
- 屈折率
- 20 · n20/D 1.417
- 闪点
- 105 °C · 105°C
- 溶解性
- Chloroform (Soluble), Dichloromethane, Ethyl Acetate (Slightly)
- 外見
- 液体
- 色
- 無色透明
- 水溶解度
- アルコール、エーテル、有機溶剤と混和します。水とわずかに混和する。
- BRN
- 1756861 · 1756861
- Henry's Law Constant
- 3.4 · 3.4×100 mol/(m3Pa) at 25℃, Bartelt-Hunt et al. (2008)
- Dielectric constant
- 9.9 · 9.9(45℃)
- 安定性
- 安定ですが、酸性および塩基性条件下で加水分解します。強力な酸化剤とは相容れない。
- LogP
- 3.2 at · 3.2 at 20℃
- CAS データベース
- 78 · 78-38-6(CAS DataBase Reference)
- EPAの化学物質情報
- Diethyl ethylphosphonate (78-38-6)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 257 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: Phosphonic acid, ethyl-, diethyl ester
Status: Active Update: 29-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26623
Phosphonic acid, ethyl-, diethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Fire Potential
COMBUSTIBLE
FIRE HAZARD: MODERATE, WHEN EXPOSED TO HEAT OR FLAME.
Reactivity Profile
Organophosphates, such as DIETHYL ETHYLPHOSPHONATE, are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Storage Conditions
IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.
Protective Action Criteria (PAC)
7.0 [mg/m3]
77 [mg/m3]
460 [mg/m3]
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
毒性情報
Non-Human Toxicity Excerpts
Diethyl ethylphosphonate (DEP) was tested for mutagenicity using the Salmonella/microsome preincubation assay using the standard protocol approved by the National Toxicology Program. DEP was tested at doses of 0.33, 1.0, 3.3, 10, and 10.2 mg/plate in as many as 5 Salmonella typhimurium strains (TA1535, TA1537, TA97, TA98, and TA100) in the presence and absence of rat or hamster liver S-9. DEP was negative in these tests and the highest ineffective dose tested in any S. typhimurium strain was 10.2 mg/plate.
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SZ7925000
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29310040
- risk_code
- 36/37/38-51/53-41-22
- 化審法
- (2)-1961
- 消防法
- 危-4-3-III
- hazard_code
- Xi,N,Xn
- safety_code
- 37/39-26-61-39
- hazard_class
- 9
- 有毒物質データの
- 78-38-6(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used for heavy-metal extraction and solvent separation; Also used as a gasoline additive, antifoam agent, plasticizer, textile conditioner, and antistatic agent; [Hawley]
Petroleum Production and Refining [Category: Industry]
TEXTILE CONDITIONER & ANTISTATIC AGENT
HEAVY METAL EXTRACTION SOLVENT, GASOLINE ADDITIVE, ANTIFOAM AGENT, PLASTICIZER, TEXTILE ANTISTATIC AGENT
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) No Data
応用分野
使用Diethyl Ethylphosphonate can be used as a flame retardant, and also used as a general reagent in phosphinoalkene and phosphinoalkyne synthesis.
一般的な説明Colorless liquid with a mild odor.
上流・下流製品情報
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下流製品
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