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HCID 12259생성일: 2026년 10월 27일

질산 에틸

질산에틸 · 에틸 나이트레이트 · Ethyl nitrate · 1-Nitrooxyethane · Nitric acid ethyl · Nicorandil Impurity 23 · Nitric acid ethyl ester · Nicorandil Impurity 13 (Ethyl Nitrate)

https://huagongshe.com/ko/chemical/12259

질산 에틸 분자 구조식

식별자 및 물리적 특성

CAS No.625-58-1
분자식C2H5NO3
평균 분자량91.07 g/mol
단동위원소 질량91.02694302 g/mol
SMILESCCO[N+](=O)[O-]
InChIKeyIDNUEBSJWINEMI-UHFFFAOYSA-N
PubChem CID12259
EC No.210-903-3
DTXSIDDTXSID0060806
현지명질산 에틸

화학 및 물리적 성질

XLogP0.9
극성 표면적55.1
수소 결합 공여자 수0
수소 결합 수용자 수3
회전 가능 결합 수1
무거운 원자 수6
형식 전하0
복잡도47.2
물질 분류Nitrogen Compounds -> Nitrates and NitritesFlammable agents - 3rd degree
SpringerMaterials PropertiesSchoenflies notation
냄새Pleasant odor
맛Sweet taste
밀도1.1084 @ 20 °C/4 °C1.004 @ 20°C
Color/FormColorless liquid
용해도Sol in alcohol and etherinsoluble in water1.3 G SOL IN 100 ML WATER @ 55 °CSol in water, miscible in ethanol and ethyl ether1.3 ml soluble in 100 ml water at 55°Cmiscible with alcohol and ether
인화점50 °F (NFPA, 2010)50 °F (closed cup)
끓는 점87.2 °C @ 762 mm Hg87.7 °C @760 [mm Hg]87.25°C
DecompositionOn decomp, they emit toxic fumes. /Nitrates/When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
녹는점-94.6 °C-112 °C-94.59°C
증기 밀도3.1 (Air= 1)
굴절률1.3852
헨리 상수1.6×10-2 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
유전율19.7(20℃)
EPAEthyl nitrate (625-58-1)

화학적 성질

Ethyl nitrate is capable of explosive decomposition when exposed to heat.

안전 및 규제

GHS 분류DangerH200: (Deleted) Unstable Explosive [Danger Explosives]P201, P202, P281, P372, P373, P380, P401, and P501 (click each P-code to see the statement)
규제 정보Chemical: Nitric acid, ethyl esterThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
운송 라벨(DOT)Flammable Liquid
화재 위험Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
화재 가능성SPONTANEOUS HEATING: NO
건강 유해성Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
유해성 요약Inhalation can cause CNS depression and methemoglobinemia[HSDB]
반응성 그룹Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsHighly Flammable
Reactivity ProfileOrganonitrates, such as ETHYL NITRATE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive.
Flammable LimitsLOWER, 4.0% BY VOL
Air and Water ReactionsHighly flammable. Insoluble in water.
NFPA Hazard Classification2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.

용도

개요

Ethyl nitrate has formula C2H5NO3. It is used in organic synthesis and as an intermediate in the preparation of some drugs, dyes, and perfumes. Ethyl nitrate is found in the atmosphere, where it can react with other gases to form smog. Originally thought to be a pollutant, formed mainly by the combustion of fossil fuels, recent analysis of ocean water samples reveal that in places where cool water rises from the deep, the water is saturated with alkyl nitrates, likely formed by natural processes.

용도

Organic synthesis, drugs, perfumes, dyes, rocket propellant.

일반 설명

A clear colorless liquid with a pleasant odor. Flash point 50°F. Prolonged exposure to fire or heat may cause vigorous decomposition and rupturing of the container. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

제조 및 합성 방법

생산 방법

The alkyl nitrates are produced from the corresponding alcohols by esterification with nitric acid in the presence of urea or urea nitrate.

제조 방법

Ethyl nitrate has been prepared by bubbling gaseous nitryl fluoride through ethanol at 10 °C . The reaction was subsequently studied in detail.

4 - Materials that in themselves are readily capable of detonation or explosive decomposition or explosive reaction at normal temperatures and pressures.
소화Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
응급 처치Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
소화 절차FOAM, CARBON DIOXIDE, DRY CHEM...EXTINGUISHING METHOD... WATER MAY BE INEFFECTIVE EXCEPT AS BLANKET.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply watt from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.Evacuation: If fire becomes uncontrollable or container is exposed to direct flame - consider evacuation of one-half (1/2) mile radius.
비화재 누출 대응Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
처리 방법SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive MeasuresPrecautions should be taken to prevent the spread of any liq that may accidentally escape from a container. ...should not be exposed in.../poorly/ ventilated conditions.If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.Personnel protection: Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amount of water or soap and water.If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC)2.2 [ppm]24 [ppm]150 [ppm]
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 24(SRC), determined from a structure estimation method(2), indicates that ethyl nitrate is expected to have very high mobility in soil(SRC). Volatilization of ethyl nitrate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.6X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of ethyl nitrate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 64 mm Hg(4).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 24(SRC), determined from an estimation method(2), indicates that ethyl nitrate is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.6X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.1 and 120 hours, respectively(SRC). According to a classification scheme(5), an estimated BCF of 1.8(SRC), from an estimated log Kow of 24(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethyl nitrate, which has a vapor pressure of 64 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase ethyl nitrate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 80 days(SRC), calculated from its rate constant of 2.7X10-13 cu cm/molecule-sec at 25 °C(3).
유해 작용Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc for ethyl nitrate can be estimated to be 24(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl nitrate is expected to have very high mobility in soil(2).
Natural Pollution SourcesThe atmospheric photochemistry of the organosulfur compounds methyl sulfide, ethyl sulfide, & methanethiol was studied with emphasis on gaseous & particulate reaction products & their modes of formation when exposed to sunlight irradiation & various NO(x) mixtures. Experimental results show that ethyl nitrate is a gas-phase photooxidation product of ethyl sulfide.The yields of alkyl nitrates formed in the NOx-air photooxidations of the homologous series of n-alkanes from ethane through n-octane have been determined at 299 +/- 2 K & 735 torr total pressure for 2 different chemical systems. Alkyl peroxy radicals were generated by reaction of the n-alkanes with OH radicals (generated from the photolysis of methyl nitrite in air) or Cl atoms (from photolysis of CL2 in air). The alkyl nitrate yields obtained from the 2 systems, corrected for secondary reactions, were in agreement within the exptl errors & incr monotonically with the carbon number of the n-alkane, from equal to or less than 1% for ethane to approx 33% for n-octane, with the yields apparently approaching a limit of approx 35% for larger n-alkanes. Data are consistent with the alkyl nitrates being formed almost entirely from the reaction of peroxy radicals with NO, & the ratios of the corrected alkyl nitrate yields reflect the fraction of RO2 radicals which react with NO to form alkyl nitrates.
Atmospheric ConcentrationsSOURCE DOMINATED: Ethyl nitrate was detected in air samples collected between November 1988 and April 1989 from Juelich, a city surrounded by five lignite-coal-burning power plants in the Black Forest region of Germany at a mean concn of 47.7 parts per trillion(1).URBAN/SUBURBAN: Ethyl nitrate was detected not quantified in air samples from Vancouver, British Columbia, Canada(1).RURAL/REMOTE: Ethyl nitrate was detected in air samples collected in May/June 1989 from Schauinsland, southwest of Juelich in the Black Forest region of Germany at a mean concn of 9.5 parts per trillion(1).
Human Toxicity Excerpts...HIGHLY TOXIC & IN LARGE DOSES MAY CAUSE DIZZINESS, ABDOMINAL CRAMPS, VOMITING, BLOODY DIARRHEA, WEAKNESS, CONVULSIONS, & COLLAPSE. SMALL, REPEATED DOSES MAY LEAD TO WEAKNESS, GENERAL DEPRESSION, HEADACHE, & MENTAL DISORDERS. /ALKYL NITRATES/IT IS SAID THAT ETHYL NITRATE HAS ANESTHETIC PROPERTIES & ON INHALATION CAUSES HEADACHE.../PRC: CNS DEPRESSION/ & VOMITING.A poison by intraperitoneal route. A very dangerous fire hazard when exposed to heat or flamecan react vigorously with oxidizing materials. A moderate explosion hazard when exposed to heat (explodea @ 185 °F).
Artificial Pollution SourcesEthyl nitrate's production and use for organic synthesis of drugs, perfumes, and dyes, and as rocket propellant(1) may result in its release to the environment through various waste streams(SRC).
Environmental BioconcentrationAn estimated BCF of 2(1) was calculated for ethyl nitrate(SRC), using an estimated log Kow of 1(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(3).
Volatilization from Water/SoilThe Henry's Law constant for ethyl nitrate is estimated as 3X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(1). This Henry's Law constant indicates that ethyl nitrate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). Ethyl nitrate's estimated Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of ethyl nitrate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 64 mm Hg(3).
Non-Human Toxicity ExcerptsIN CATS, 400 MG/KG IN OLIVE OIL IP PRODUCES UNCONSCIOUSNESS, INCR RESP RATE, DILATATION & FIXATION OF PUPILS, & DEATH IN 90 MIN300 MG/KG...FOLLOWED BY RECOVERY. MODERATE METHEMOGLOBINEMIA & HEINZ BODY FORMATION...OBSERVED AFTER...125-250 MG/KG.SUBCUTANEOUS ADMIN OF ETHYL NITRATE TO RABBITS RESULTED IN THE CONVERSION OF HEMOGLOBIN INTO METHEMOGLOBIN. METHEMOGLOBIN REACHED PEAK 1-2 HR AFTER ADMIN & GRADUALLY DECREASED.INDUCED MUTATIONS IN BACTERIOPHAGE TAB AFTER 24 & 48 HR EXPOSURE. ABILITY TO ALKYLATE DNA SEEMS TO VARY INVERSELY WITH LENGTH OF HYDROCARBON RADICAL.MUTAGENIC TO E COLI BACTERIOPHAGE T43.
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of ethyl nitrate with photochemically-produced hydroxyl radicals is 2.7X10-13 cu cm/molecule-sec at 36 °C(1). This corresponds to an atmospheric half-life of about 80 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2). Ethyl nitrate may photolyze due to it's absorption in the environmental UV spectrum (>290 nm)(3).
Probable Routes of Human ExposureOccupational exposure to ethyl nitrate may occur with this compound at workplaces where ethyl nitrate is produced or used. (SRC)
TSCA 등재 상태TSCA listed
운송 번호(UN)0473
위험 문구(R)2
위험 표시E
안전 문구(S)23-24/25
위험 등급1.1A
유해 물질 데이터625-58-1(Hazardous Substances Data)