다이아이소프로필벤젠

Bis(1-methylethyl)benzene

HCID 11345CAS 25321-09-9

기본 정보

표준 SMILES
CC(C)c1ccccc1C(C)C
InChIKey
OKIRBHVFJGXOIS-UHFFFAOYSA-N
분자식
C12H18
평균 분자량
162.27 g/mol
단동위원소 질량
162.14085057

이름 및 식별자

우선 이름
Bis(1-methylethyl)benzene
IUPAC
1,2-di(propan-2-yl)benzene
현지명
디이소프로필벤젠
영어명
DIISOPROPYLBENZENE
분자식
C12H18
분자량
162.27

이름 및 동의어

25321-09-9DIISOPROPYLBENZENEBenzene, diisopropyl-Bis(1-methylethyl)benzeneDTXSID0027858RefChem:917230K2RZG204KIDTXCID001769091246-835-6Benzene, bis(1-methylethyl)-1,2-DIISOPROPYLBENZENE577-55-9
이름 더 보기
다이아이소프로필벤젠디이소프로필벤젠다이아이소프로필벤젠(DIISOPROPYLBENZENE)다이아이소프로필벤젠(혼합물)다이아이소프로필벤젠, 모든 이성질체벤젠, 비스(1-메틸에틸)-DIPBDiisopropylbenzoldiisopropyl-benzenBis(isopropyl)benzeneORTHO-DIISOPROPYLBENZENEbis(1-methylethyl)-benzenbis(1-methylethyl)-BenzeneBENZENE,BIS(1-METHYLETHYL)-
Benzene, 1,2-bis(1-methylethyl)-o-Diisopropylbenzene1,2-di(propan-2-yl)benzene1,2-Bis(1-methylethyl)benzeneBenzene, o-diisopropyl-1,2-bis(propan-2-yl)benzeneMFCD000542636E5460R9HG

데이터베이스 식별자

CAS
25321-09-9、577-55-9
PubChem CID
11345
DTXSID
DTXSID30860336
ChEMBL
CHEMBL3188905
UNII
6E5460R9HG
EC Number
209-412-7、246-835-6
Nikkaji
J54.882K

물성

구조 계산 물성

XLogP
4.2
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

LogP5.2
Density · 5건

0.9 (water=1)

0.8701 at 20 °C/4 °C

0.9 g/cm³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1

0.9 No Temp

Color/FormClear, colorless liquid
Solubility · 2건

Sol in all proportions of alcohol, ether, acetone and benzene.

Solubility in water at 25 °C: poor

Flash Point · 3건

77 °C

170 °F (Open cup)

77 °C o.c.

Boiling Point · 5건

205 °C

204 °C at 760 mm Hg

Boiling point: 115.4 °C @ 50 mm Hg

203-205 °C

205 °C @760 [mm Hg]

물리화학적 성질

녹는점
-25.43 °C · -25.43°C (estimate)
끓는 점
77 · 77-82 °C (10 mmHg)
밀도
0.85 · 0.85
굴절률
1.488 · 1.488-1.491
인화점
71 °C · 71 °C
저장 조건
Sealed in dry,Room Temperature

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H304 (44.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard];H315 (54.7%): Causes skin irritation [Warning Skin corrosion/irritation];H373 (44.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H413 (97%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P273, P280, P301+P316, P302+P352, P319, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 236 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, bis(1-methylethyl)-

Benzene, 1,2-bis(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-bis(1-methylethyl)- 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: Cease Manufacture Update: 23-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13543

Fire HazardsCombustible. Above 77 °C explosive vapour/air mixtures may be formed.
Fire PotentialModerate, when exposed to heat or flame.
Hazards Summary · 2건

Inhalation of high concentrations can cause CNS depression; [ICSC] An eye, mucous membrane, and upper respiratory tract irritant; May cause CNS depression; Defats the skin; [CAMEO] May cause mild to moderate irritation, based on animal studies; [CHEMINFO]

A skin, eye, and respiratory tract irritant; May be harmful after ingestion, inhalation, or skin contact; Anesthetic effect at high doses; [MSDSonline]

UN ClassificationUN Hazard Class: 9; UN Pack Group: III
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. /Isopropylbenzene/

/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. /Isopropylbenzene/

/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. /Isopropylbenzene/

/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. /Isopropylbenzene/

For more DOT Emergency Guidelines (Complete) data for 1,2-DIISOPROPYLBENZENE (8 total), please visit the HSDB record page.

안전 및 보호

Fire FightingUse powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4건

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Rest.

Safe StorageProvision to contain effluent from fire extinguishing. Keep in a well-ventilated room. Store in an area without drain or sewer access.
Fire Fighting ProceduresFoam, carbon dioxide, dry chemical, water spray or mist.
Spillage Disposal · 1건

Remove all ignition sources. Do NOT let this chemical enter the environment. Ventilation. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based upon an estimated Koc value of 4000(1), diisopropylbenzene is expected to be relatively immobile in soil(SRC). Insufficient data are available to predict the rates or importance of soil degradation processes(SRC).

AQUATIC FATE: Volatilization and adsorption to sediment may be important transport processes in water for diisopropylbenzene. Volatilization half-lives of 3.8 and 45 hours can be estimated for a model river (1 meter deep) and model pond (2 meters deep), respectively, when the effects of adsorption are not present(1-2); in the presence of adsorption (Koc of 4000), the volatilization half-life from the pond increases to 27 days(2). Based upon an estimated Koc of 4000(3), diisopropylbenzene may partition from the water column to sediment and suspended material. Insufficient data are available to predict the importance of biodegradation(SRC).

ATMOSPHERIC FATE: Based upon vapor pressures of 0.25 to 0.39 mm Hg at 25 °C(1), the diisopropylbenzene isomers are expected to exist almost entirely in the vapor-phase in the ambient atmosphere(2). Diisopropylbenzene will degrade in an average ambient atmosphere by reaction with photochemically produced hydroxyl radicals (estimated half-life of 30 hours)(3,SRC).

Adverse Effects · 2건

Neurotoxin - Acute solvent syndrome

Neurotoxin - Acute solvent syndrome

Signs and SymptomsHeadache. Drowsiness.
Effluent Concentrations · 1건

m- and p-Diisopropylbenzene were qualitatively detected in water samples collected from advanced waste treatment facilities in Pomona, CA (Jun 17, 1975) and Lake Tahoe, CA (Oct 24, 1974)(1). Diisopropylbenzene was detected in the wastewater effluent from a chemical manufacturing facility in LA (concn, site or date not reported)(2).

ICSC Environmental DataThe substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indexes, the Koc for diisopropylbenzene can be estimated to be about 4000(1). This estimated Koc indicates that diisopropylbenzene will be relatively immobile in soil(2,SRC).

규제 정보

Regulatory Information · 3건

Chemical: Benzene, bis(1-methylethyl)-

Benzene, 1,2-bis(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-bis(1-methylethyl)- 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: Cease Manufacture Update: 23-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13543

안전 데이터

tsca
TSCA listed
rtecs
CZ6330000
ridadr
3082
HS 번호
29029000
risk_code
10-37-51/53-65
hazard_code
Xn,N

화학 및 산업

용도 및 제조

Uses · 3건

Occurs in isomeric forms ortho, meta, and para; Blended into gasoline, diesel, and other hydrocarbon fuels; [HSDB] Used to make diisopropylbenzeneperoxide; [eChemPortal: SIDSUNEP]

Petroleum Production and Refining [Category: Industry]

Distillate fractions containing diisopropylbenzene can be blended into gasoline, diesel and other hydrocarbon fuels.

U.S. Production2023: <50,000 lb;2022: <50,000 lb;2021: <50,000 lb;2020: <50,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
Methods of Manufacturing · 3건

By-product of cumene production /Diisopropylbenzenes/

By alkylation /of benzene/ using a silica - alumina catalyst. ... Isomers can be separated by fractionation.

By-product of cumene production /Diisopropylbenzenes/

Formulations/PreparationsDiisopropylbenzene ... occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives, all being flammable liquids.

응용 분야

일반 설명Clear amber liquid with a sharp, penetrating odor. A mixture of three isomers (ortho, meta, and para).

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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