1,2-Diethylbenzene

HCID 8657CAS 135-01-3

기본 정보

표준 SMILES
CCc1ccccc1CC
InChIKey
KVNYFPKFSJIPBJ-UHFFFAOYSA-N
분자식
C10H14
평균 분자량
134.22 g/mol
단동위원소 질량
134.10955045

이름 및 식별자

우선 이름
1,2-Diethylbenzene
IUPAC
1,2-diethylbenzene
영어명
1,2-Diethylbenzene
분자식
C10H14
분자량
134.22

이름 및 동의어

1,2-DIETHYLBENZENE135-01-3o-DiethylbenzeneBenzene, 1,2-diethyl-Benzene, o-diethyl-25HOX6T1LUDTXSID6052742RefChem:71876DTXCID507866205-170-1Benzene, diethyl-1,2-diethyl-benzene
이름 더 보기
MFCD00009258o-Diethylbenzene;DiethylbenzolDiethylbenzene (mixture)DSSTox_CID_7866DSSTox_RID_78595DSSTox_GSID_27866CAS-25340-17-4

데이터베이스 식별자

CAS
135-01-3、25340-17-4
PubChem CID
8657
DTXSID
DTXSID6052742
ChEMBL
CHEMBL3186870
UNII
25HOX6T1LU
EC Number
205-170-1
Nikkaji
J43.479E

물성

구조 계산 물성

XLogP
3.7
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= 3.72

4.1

OdorCharacteristic aromatic; like benzene, like toluene
Density0.8800 @ 20 °C/4 °C
Viscosity3.8X10-2 Pa.s @ 241.93 K

물리화학적 성질

녹는점
-31.2 °C · -31.2 °C
끓는 점
184 °C · 184 °C
밀도
0.88 g/cm3 · 0.8800 g/cm3

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1017 reports by companies from 8 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 · 4건

Chemical: Benzene, diethyl-

Benzene, diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 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)

Benzene, 1,2-diethyl-: Does not have an individual approval but may be used under an appropriate group standard

Benzene, diethyl-: HSNO Approval: HSR001128 Approved with controls

Fire Potential · 2건

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

COMBUSTIBLE ... MODERATE FIRE RISK. /DIETHYLBENZENE/

Hazards Summary · 2건

A skin, eye, and nose irritant; Volunteers exposed to 2000 ppm experience severe eye irritation and lacrimation; In high-dose animal experiments, causes injury to the liver, CNS, and peripheral nerves; HSDB]

The major hazards encountered in the use and handling of 1,2-diethylbenzene stem from its toxicologic properties and flammability. Exposure to this colorless liquid may occur from its use as a solvent; as an intermediate in the manufacture of divinylbenzene and napthalene; and in powderless etching. Effects from exposure may include contact burns to the skin and eyes, and irritation of the mucous membranes. 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. 1,2-Diethylbenzene may be ignited by heat, sparks, and flames. Containers of this substance may explode in the heat of a fire. Also, its heavier-than-air vapor may travel to a source of ignition and flash back, or may accumulate to explosive concentrations in confined spaces such as sewers. For fires involving 1,2-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. For small spills of 1,2-diethylbenzene, take up with sand or other noncombustible absorbent and place into containers for later disposal. For large spills, use water spray to reduce vapor and dike far ahead of the spill for later disposal.

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 1,2-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.

Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

안전 및 보호

Exposure Control and Personal Protection5.6 [mg/m3]
Fire Fighting Procedures · 2건

TO FIGHT FIRE, USE CARBON DIOXIDE, DRY CHEMICAL. /DIETHYL BENZENE/

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or 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 water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. /Diethyl benzene/

Cleanup Methods · 2건

METHODS TO REDUCE HYDROCARBONS FROM EFFLUENTS ARE DESCRIBED. MIXT OF DIETHYLBENZENE ISOMERS WAS ONE OF WATER POLLUTANTS.

ZINC, MAGNESSIUM , CHROMIUM WERE PPT WITH CALCIUM OXIDE, THE METALS WERE RECYCLED, & THE SOLN CONTAINING DIETHYLBENZENE ISOMERS WAS REUSED.

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 · 3건

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/

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. Use water spray to knock-down vapors. /Diethyl benzene/

Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. /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 1,2-diethylbenzene is expected to have low mobility in soil(SRC). Volatilization of 1,2-diethylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 0.00261 atm-cu m/mole(3) estimated from its vapor pressure, 1.05 mm Hg(5), and water solubility, 71.1 mg/l(6). The potential for volatilization of 1,2-diethylbenzene from dry soil surfaces may exist based upon a vapor pressure of 1.05 mm Hg(5). 1,2-Diethylbenzene at a concn of 22.7 ug/l was completely removed within 5 days from a gas oil mixture at a concn of about 2 mg/l added to acclimated fresh-wellwater grab samples from Tuffenwies and Zurich, Switzerland, with a pH of 8.0, at 10 and 25 °C and microbial populations of 300-400 cells/ml(7). A gas oil mixture with a concn of 0.5 ppm contained 1,2-diethylbenzene, which degraded in North Sea coastal water maintained at 20 °C for 14 days(8).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1600(SRC), determined from an estimation method(2), indicates that 1,2-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 0.00261 atm-cu m/mole(4) estimated from its vapor pressure, 1.05 mm Hg(8), and water solubility, 71.1 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 1.4 hr and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 150(SRC), from its log Kow of 3.72(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 1,2-diethylbenzene was a constituent of gas oil mixtures, suggests that 1,2-diethylbenzene may biodegrade in the aquatic environment.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,2-diethylbenzene, which has a vapor pressure of 1.05 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,2-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 1,2-diethylbenzene in crab meat and boiled shrimp(1).
Adverse EffectsNeurotoxin - Acute solvent syndrome
Effluent Concentrations · 1건

Exhaust emissions tests from a 1990 gasoline and a reformulated gasoline had 0.88 and 0.59% (of total hydrocarbons) 1,2-diethylbenzene, respectively(1). 1,2-Diethylbenzene represented 0.28% and 0.26% 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). Off-gas concns from the Skyway Waste treatment and Highland Creek plant in Ontario, Canada consisted of 37 and 739 ug/cu m 1,2-diethylbenzene, respectively(3). 1,2-Diethylbenzene is reported to be a product of combustion engines(4). Formation water from offshore oil production platforms was found to contain 1,2-diethylbenzene at a concn of 140 ug/l(5). 1,2-Diethylbenzene was identified as a vapor emitted from landfills(6). Leachate samples taken from Guelph and Muskoka municipal waste treatment plants in Ontario were tested for 1,2-diethylbenzene and none was detected(7). 1,2-Diethylbenzenes were found in unquantified amounts in the effluent sample of a water treatment plant(9). 1,2-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(8).

Soil Adsorption/Mobility · 1건

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

Atmospheric Concentrations · 3건

SOURCE DOMINATED: According to the National Ambient Volatile Organic Compounds (VOCs) Database, the median concn of 1,2-diethylbenzene for source dominated atmospheres is below the detection limit for 7 samples(1). 1,2-Diethylbenzene was detected in the air at the Gatwick Airport, UK in 1979: airplane engines were the source(2).

URBAN/SUBURBAN: According to the National Ambient Volatile Organic Compounds (VOCs) Database, the median urban atmospheric concn of 1,2-diethylbenzene is 0.232 ppbV for 342 samples(2). Diethylbenzenes were detected in 4 of 4 outdoor air samples and 8 of 10 indoor air samples from 10 public access buildings (offices, schools, elderly homes and a hospital)(1). The atmospheres of Pretoria, Johannesburg and Durban, South Africa were shown to contain 1,2-diethylbenzene(1). According to the National Ambient Volatile Organic Compounds (VOCs) Database, the median suburban atmospheric concn of 1,2-diethylbenzene is 0.172 ppbV for 202 samples(2).

RURAL/REMOTE: According to the National Ambient Volatile Organic Compounds (VOCs) Database, the median remote atmospheric concn of 1,2-diethylbenzene is below the detection limit for 1 sample(1).

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H226

화학 및 산업

용도 및 제조

Uses · 5건

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

Intermediate; solvent /Diethylbenzenes/

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

/Diethylbenzenes/ are used in powderless etching. /Diethylbenzenes/

Dehydrogenated and cyclized to naphthalene.

Impurities · 2건

ETHYL-, TRIETHYL-, AND HIGHER POLYETHYLBENZENES ARE IMPURITIES OF FRIEDEL-CRAFTS ALKYLATION PROCESS

IMPURITIES OF PRODUCTION ARE PROPYL- AND BUTYL-BENZENES.

U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFuel agents
Industry UsesOther
Methods of Manufacturing · 3건

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

Produced by the disproportionation reaction of ethylbenzene. /Ethylbenzenes/

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

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