1.4-디에틸벤젠

1,4-Diethylbenzene

HCID 7734CAS 105-05-5

기본 정보

표준 SMILES
CCc1ccc(CC)cc1
InChIKey
DSNHSQKRULAAEI-UHFFFAOYSA-N
분자식
C10H14
평균 분자량
134.22 g/mol
단동위원소 질량
134.10955045

개요

1,4-Diethylbenzene is a member of benzenes.

이름 및 식별자

우선 이름
1,4-Diethylbenzene
IUPAC
1,4-diethylbenzene
현지명
1.4-디에틸벤젠
영어명
1,4-Diethylbenzene
분자식
C10H14
분자량
134.22

이름 및 동의어

1,4-DIETHYLBENZENE105-05-5p-DiethylbenzeneBenzene, 1,4-diethyl-p-EthylethylbenzeneBenzene, p-diethyl-DTXSID40267110PSM16X42DDTXCID706711RefChem:73250203-265-2para-Diethylbenzene
이름 더 보기
1,4-다이에틸벤젠1,4-디에틸벤젠1.4-디에틸벤젠PDEB1.4-Diethylbenp-diethylenzenePDEB )1,4-Diethyp-diethyl-benzen1,4-diethyl-benzen
MFCD000092641,4-diethyl-benzeneHSDB 4083EINECS 203-265-2UNII-0PSM16X42DBenzene, 1,4-diethyl-; Benzene, p-diethyl- (8CI); p-Xylene, a,a'-dimethyl- (7CI); 1,4-Diethylbenzene; p-Diethylbenzene; p-EthylethylbenzeneDIETHYLBENZENE, P-EC 203-265-2

데이터베이스 식별자

CAS
105-05-5
PubChem CID
7734
DTXSID
DTXSID4026711
ChEMBL
CHEMBL3187283
ChEBI
CHEBI:34062
UNII
0PSM16X42D
EC Number
203-265-2
Nikkaji
J43.478G

물성

구조 계산 물성

XLogP
3.5
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
2
무거운 원자 수
10

실험 및 물리화학적 성질

SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesBoiling point
LogP · 2건

log Kow= 4.45

4.22

OdorCharacteristic aromatic; like benzene, like toluene
Density0.8620 @ 20 °C/4 °C
Viscosity3.6X10-3 Pa.s @ 230.32 K

물리화학적 성질

녹는점
-43 °C · -43 °C
끓는 점
184 °C · 184 °C(lit.)
밀도
0.862 g/mL · 0.862 g/mL at 25 °C(lit.)
증기 밀도
1 · >1 (vs air)
증기압
0.99 mm · 0.99 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.495(lit.)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1120 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 3건

Benzene, 1,4-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,4-diethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12050

1,4-Diethylbenzene: Does not have an individual approval but may be used under an appropriate group standard

Fire Potential · 2건

Flammable liquid when exposed to heat or flame ... /Diethyl benzene/

COMBUSTIBLE ... MODERATE FIRE RISK. /DIETHYLBENZENE/

Hazards Summary · 2건

Volunteers complain of severe eye irritation and lacrimation at 2000 ppm; [HSDB] An irritant; Effects in high-dose animal studies include general anesthesia and liver changes; [MSDSonline]

The major hazards encountered in the use and handling of 1,4-diethylbenzene stem from its toxicologic properties and flammability. Exposure to this colorless, aromatic-smelling liquid may occur through dermal contact or inhalation at places where it is produced or used as a plasticizer, solvent, chemical intermediate in the manufacture of divinylbenzene, or in powderless etching. Effects from exposure may include contact burns to the skin and eyes. In activities and situations where over-exposure may occur, wear a positive pressure self-contained breathing apparatus and protective clothing. If contact should occur, irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing and shoes should be removed at the site. 1,4-Diethylbenzene may be ignited by heat, sparks, or flames. Also, containers of this substance may explode in the heat of a fire. Its heavier-than-air vapor may travel to a source of ignition and flash back, or accumulate to explosive concentrations in confined spaces such as sewers. For fires involving 1,4-diethylbenzene, extinguish with dry chemical, CO2, water spray, fog, or standard foam. Isolate the area for 1/2 mile in all directions if a tank, rail car, or tank truck is involved in the fire. Small spills of 1,4-diethylbenzene may be taken up with sand or other noncombustible absorbent and placed into containers for later disposal. For a large spill, use water spray to reduce the vapor, and dike far ahead of the spill to prevent runoff.

Flammable LimitsLower flammable limit: 0.7% by volume; Upper flammable limit: 6.0% by volume
DOT Emergency Guidelines · 5건

/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Diethylbenzene/

/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Diethylbenzene/

/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Diethylbenzene/

/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Diethylbenzene/

For more DOT Emergency Guidelines (Complete) data for 1,4-DIETHYLBENZENE (8 total), please visit the HSDB record page.

NFPA Hazard Classification · 3건

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.

0 - Materials that in themselves are normally stable, even under fire conditions.

안전 및 보호

Fire Fighting ProceduresTO FIGHT FIRE, USE CARBON DIOXIDE, DRY CHEMICAL. /DIETHYL BENZENE/
Cleanup MethodsMETHODS TO REDUCE HYDROCARBONS FROM EFFLUENTS WERE STUDIED. MIXT OF DIETHYLBENZENE ISOMERS WAS ONE OF WATER POLLUTANTS.
Disposal Methods · 1건

SRP: 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 Measures · 1건

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place. /Diethyl benzene/

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1600(SRC), determined from a structure estimation method(2), indicates that 1,4-diethylbenzene is expected to have low mobility in soil(SRC). Volatilization of 1,4-diethylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.007335 atm-cu m/mole(3) estimated from its vapor pressure, 1.03 mm Hg(4), and water solubility, 24.8 mg/l(5). The potential for volatilization of 1,4-diethylbenzene from dry soil surfaces may exist based upon its vapor pressure(4).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1600(SRC), determined from an estimation method(2), indicates that 1,4-diethylbenzene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.007335 atm-cu m/mole(4) estimated from its vapor pressure, 1.03 mm Hg(8), and water solubility, 24.8 mg/l(9). Using this estimated Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.3 hr and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 530(SRC), from its log Kow of 4.45(6), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high. Groundwater(10) and marine water grab sample tests(11), in which 1,4-diethylbenzene was a constituent of gas oil mixtures, suggests that 1,4-diethylbenzene will biodegrade in the aquatic environment.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,4-diethylbenzene, which has a vapor pressure of 1.03 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,4-diethylbenzene 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 2 days(SRC), calculated from its rate constant of 8.1X10-12 cu cm/molecule-sec at 25 °C determined using a structure estimation method(3). 1,2-Diethylbenzene has the potential to undergo direct photolysis in air as it absorbs UV light at wavelengths in the environmentally significant range, >290 nm(4).

Food Survey ValuesDetected unquantified amounts of 1,4-diethylbenzene in crab meat and boiled shrimp(1).
Adverse EffectsNeurotoxin - Acute solvent syndrome
Effluent Concentrations · 1건

Off-gas concns from the Skyway Waste treatment and Highland Creek plant in Ontario, Canada consisted of 185 and 625 ug/cu m 1,4-diethylbenzene, respectively(1). 1,4-Diethylbenzene represented 0.44% and 0.36% of the total emission components from light duty vehicle emissions collected in August and October of 1994, respectively, from the Caldecott Tunnel in California(2). Vulcanization and extrusion operations during rubber and synthetic production with electrical insulation emits 1,4-diethylbenzene to the air(3). 1,4-Diethylbenzene was detected at a concn of 2.0 ug/cu m in a plume at a distance of 1 mile from its source, a General Motors facility located in Janesville, Wisconsin(4). Leachate samples taken from Guelph and Muskoka municipal waste treatment plants in Ontario were tested for 1,4-diethylbenzene and none was detected(5). 1,4-Diethylbenzene was found in unquantified amounts in the effluent sample of a water treatment plant(7). 1,4-Diethylbenzene was detected, but not quantified, as an introduced volatile organic compound in the water of a test stand basin after a four-stroke outboard motor filled with unleaded gasoline was left in operation for 10 minutes(6).

Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,4-diethylbenzene can be estimated to be 1600(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,4-diethylbenzene is expected to have low mobility in soil.

Atmospheric Concentrations · 2건

URBAN/SUBURBAN: 1,4-Diethylbenzene was listed as one of 64 most abundant air pollutants in US cities(4). For 821 air samples, collected from 1984-6, in 39 US cities, the median 1,4-diethylbenzene concn is 2.4 ppbC with a minimum and maximum concn of 4.0 and 33 ppbC(4). According to the National Ambient Volatile Organic Compounds (VOCs) Database, the median urban atmospheric concn of 1,4-diethylbenzene below the detection limit for 250 samples and the median suburban atmospheric concn of 1,4-diethylbenzene is 0.250 ppbV for 71 samples(2). The 1,4-diethylbenzene concn ranged from 0 to 3 ppbV at a downtown Los Angeles location where it was detected in 16 of 17 samples in the Fall of 1981(3). Diethylbenzenes were detected in 4 of 4 outdoor air samples and 8 of 12 indoor air samples from 10 public access buildings (offices, schools, homes for the elderly and a hospital)(1).

SOURCE DOMINATED: 1,4-Diethylbenzene was detected in the air at the Gatwick Airport, UK in 1979(1).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
CZ5640700
ridadr
UN 2049 3/PG 3
HS 번호
2902 90 00
risk_code
10-36/37/38

화학 및 산업

약리 정보

Mechanism of ActionIt is likely that the mechanism of action of the alkylbenzenes under conditions of acute exposure resembles those of the general anesthetics. /Alkylbenzenes/

용도 및 제조

Uses · 6건

Used as an intermediate, solvent, and in powderless etching; [HSDB]

Intermediate; solvent /diethylbenzene/

Used as a solvent in the Parex process for the production of paraxylene.

Diethylbenzenes are used for the manufacture of divinylbenzene. /Diethylbenzenes/

Diethylbenzenes are used in powderless etching. /Diethylbenzenes/

For more Uses (Complete) data for 1,4-DIETHYLBENZENE (6 total), please visit the HSDB record page.

Impurities · 3건

UNREACTED BENZENE, SPENT ALUMINUM CHLORIDE AND ETHYLBENZENE ARE IMPURITIES OF THE FRIEDEL-CRAFTS REACTION. /ETHYLBENZENES/

Impurities of production are propyl- and butyl-benzenes. /Diethylbenzenes/

Ethyl-, triethyl-, and higher polyethylbenzenes are impurities of the Friedel-Crafts alkylation process. /Diethylbenzenes/

U.S. Production2023: 550,000 - <700,000 lb
Industry UsesOther
Methods of Manufacturing · 4건

MANUFACTURED BY THE FRIEDEL-CRAFTS REACTION INVOLVING ETHYLENE AND BENZENE IN FLUID PHASE USING ALUMINUM CHLORIDE CATALYST. THE CATALYST IS REMOVED BY WASHING WITH WATER AND CAUSTIC. /DIETHYLBENZENES/

Produced by the disproportionation reaction of ethylbenzene. /Diethylbenzenes/

Occurs as a byproduct in the production of ethylbenzene from benzene and ethylene.

Gas-phase alkylation of ethylbenzene with ethylene produced 99% of the 1,4-diethylbenzene isomer by modifying the catalyst.

Formulations/PreparationsThe commercial product is either a mixture of isomers or the para isomer, the latter being available in both pure and technical grades. /Diethylbenzene/

응용 분야

용도1,4-Diethylbenzene, is used as a solvent and an intermediate in the manufacture of other organic compounds for the finished products of such as curing agents, engineering plastics andcross-linking agents.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

관련 반응

5건

연결된 노트

불러오는 중…