기본 정보
- 표준 SMILES
CCOP(=O)(CC)OCC- InChIKey
AATNZNJRDOVKDD-UHFFFAOYSA-N- 분자식
- C6H15O3P
- 평균 분자량
- 166.16 g/mol
- 단동위원소 질량
- 166.07588097
개요
Diethyl ethylphosphonate is a colorless liquid with a mild odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Diethyl ethylphosphonate
- IUPAC
- 1-[ethoxy(ethyl)phosphoryl]oxyethane
- 현지명
- 다이에틸 에틸포스폰산
- 영어명
- Diethyl ethylphosphonate
- 분자식
- C6H15O3P
- 분자량
- 166.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
78-38-6- PubChem CID
- 6534
- DTXSID
DTXSID7025051- ChEMBL
CHEMBL1299387- UNII
- Y52Q01P44T
- EC Number
- 201-111-9
- Nikkaji
- J98.166D
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 114
실험 및 물리화학적 성질
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]
물리화학적 성질
- 끓는 점
- 82 · 82-83 °C (11 mmHg)
- 밀도
- 1.024 g/mL · 1.024 g/mL at 20 °C(lit.)
- 증기압
- 7.2 hPa · 7.2hPa at 20℃
- 굴절률
- 20 · n20/D 1.417
- 인화점
- 105 °C · 105°C
- 용해도
- Chloroform (Soluble), Dichloromethane, Ethyl Acetate (Slightly)
- 물리적 상태
- 액체
- 색상
- 무색의
- 수용성
- 알코올, 에테르, 유기용매와 섞일 수 있습니다. 물과 약간 섞임.
- 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℃)
- 안정성
- 안정적이지만 산성 및 염기성 조건 모두에서 가수분해됩니다. 강한 산화제와 호환되지 않습니다.
- LogP
- 3.2 at · 3.2 at 20℃
- EPA
- Diethyl ethylphosphonate (78-38-6)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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.
안전 및 보호
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)
독성 정보
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.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SZ7925000
- ridadr
- UN 3082 9/PG 3
- HS 번호
- 29310040
- risk_code
- 36/37/38-51/53-41-22
- hazard_code
- Xi,N,Xn
- safety_code
- 37/39-26-61-39
- 위험 등급
- 9
- 기존화학 물질
- 2005-3-3447
- 유해 물질 데이터
- 78-38-6(Hazardous Substances Data)
화학 및 산업
용도 및 제조
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
응용 분야
용도Diethyl Ethylphosphonate can be used as a flame retardant, and also used as a general reagent in phosphinoalkene and phosphinoalkyne synthesis.
일반 설명Colorless liquid with a mild odor.
상·하류 제품 정보
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