1,4-Diisopropylbenzene (HCID 7486)

名称と識別子

優先名称: 1,4-Diisopropylbenzene
IUPAC: 1,4-di(propan-2-yl)benzene
現地名: 1,4-ジイソプロピルベンゼン
英語名: 1,4-DIISOPROPYLBENZENE
分子式: C12H18
分子量: 162.27

名称と別名

1,4-DIISOPROPYLBENZENEp-DiisopropylbenzeneBenzene, 1,4-bis(1-methylethyl)-Benzene, p-diisopropyl-p-Diisopropylbenzol1,4-Bis(1-methylethyl)benzenepara-DiisopropylbenzeneDTXSID2026652HSDB 53314-IsopropylcumeneEINECS 202-826-9NSC 84198

名称をさらに表示

1,4-ジイソプロピルベンゼン1,4-ビス(1-メチルエチル)ベンゼンp-ジイソプロピルベンゼン1,4-ジ(1-メチルエチル)ベンゼンｐジイソプロピルベンゼン1,4‐ジイソプロピルベンゼン1,4-ジイソプロピルベンゼン, 99%1,4-Disopropylbenzenep-diisopropyl-benzen1,4-Diisopropylbenzene97%1,4-Diisopropylbenzene 97%

UNII-5M62031NZPBRN 18547395M62031NZP1,4-diisopropyl benzeneNSC-84198Benzene, 1,4-diisopropyl-P-DI-ISO-PROPYLBENZENEDTXCID106652

データベース識別子

CAS: 100-18-5
PubChem CID: 7486
DTXSID: DTXSID2026652
ChEMBL: CHEMBL1872836
UNII: 5M62031NZP
EC Number: 202-826-9
Nikkaji: J3.587D

物性

構造計算による物性

XLogP: 4.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 100

実験および物理化学的性質

SolventsSolvents -> Aromatic Solvents

Density · 2 件

0.8568 AT 20 °C/4 °C

0.8568 @ 20°C

Color/FormLiquid

Solubility · 2 件

INSOL IN WATER

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

Boiling Point · 2 件

210.3 °C

210.3 °C @760 [mm Hg]

Melting Point · 2 件

-17.1 °C

-17 °C

物理化学的性質

融点: -17 °C · -17 °C (lit.)
沸点: 210 °C · 210 °C (lit.)
比重(密度): 0.857 g/mL · 0.857 g/mL at 25 °C (lit.)
蒸気密度: 5.6 · 5.6 (vs air)
蒸気圧: 0.25 mm · 0.25 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.489(lit.)
闪点: 170 °F · 170 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: アルコール、エーテル、アセトン、ベンゼンに可溶。水に不溶。
BRN: 1854739 · 1854739
Henry's Law Constant: 1 · 1.0×10-3 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChIKey: SPPWGCYEYAMHDT-UHFFFAOYSA-N
SMILES: CC(C)c1ccc(cc1)C(C)C
LogP: 5.23 at · 5.23 at 25℃
CAS データベース: 100 · 100-18-5(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1,4-bis(1-methylethyl)-(100-18-5)
EPAの化学物質情報: p-Diisopropylbenzene (100-18-5)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 6.7% (5 of 75) of reports.

Warning

H315 (74.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P271, P273, P280, P302+P352, P304+P340, P318, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 3 件

Benzene, 1,4-bis(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,4-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: Active Update: 10-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15776

Benzene, 1,4-bis(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Effects in high-dose animal studies include general anesthesia; [MSDSonline]

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (74.7%)

Flammable liquids - Category 4

安全と保護具

Protective Action Criteria (PAC) · 3 件

2.7 [mg/m3]

30 [mg/m3]

180 [mg/m3]

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

Non-Human Toxicity Excerpts · 3 件

OF 10 RATS DOSED WITH 0.5 ML/KG ... ONE DEATH ... OCCURRED.

Diisopropylbenzene occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives ... . Orally, they are of very low toxicity. Of 10 rats dosed with 5.0 ml/kg, no deaths for the meta, and one death for the ortho and the para isomers occurred. Russian reports of 1970 indicate that rats and rabbits exposed to 0.2 to 1.0 mg/liter (30 to 150 ppm) for 90 minutes daily for 5 weeks developed vascular hyperemia, hemorrhaging in most major organs, and fatty and protein dystrophy in the liver, kidney, and heart, and hyperplasia of the bone marrow. meta-Diisopropylbenzene caused decreased fertility in the rat and mouse at 1 to 3 mg/liter for 30 days.

Diisopropylbenzene rated 1 on rabbit eyes /on a scale of 1 to 10 with 10 being the most severe/. /Diisopropylbenzene/

Environmental Water ConcentrationsISOMERS IMPART A SPECIFIC SMELL TO WATER BUT HAVE NO SIGNIFICANT EFFECT ON SANITATION OF WATER BODIES. HYGIENIC STANDARD LEVEL FOR BOTH SUBSTANCES IN WATER SHOULD BE SET @ LEVEL OF 0.05 MG/LITER.

Toxicity DataLCLo (mouse) = 5300 mg/m3/2H

安全データ

wgk: 2
tsca: TSCA listed
rtecs: CZ6360000
ridadr: UN 3082 9/PG 3
hs_code: 29029090
risk_code: 36/37/38-53-38
化審法: (3)-25
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
hazard_class: 9
packing_group: III
Hazard Classifications: Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids
有毒物質データの: 100-18-5(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 3 件

Used as a solvent and chemical intermediate; [HSDB]

SOLVENT; INTERMEDIATE

CHEM INT, EG, FOR HYDROQUINONE & ACETONE

U.S. Production · 3 件

2023: 55,000,000 - <70,000,000 lb

(1979) AT LEAST 2.27X10+6 G /UNSPECIFIED ISOMER/

(1981) AT LEAST 2.27X10+6 G /UNSPECIFIED ISOMER/

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesIntermediate

Methods of ManufacturingALKYLATION OF BENZENE OR CUMENE WITH PROPYLENE IN THE PRESENCE OF A CATALYST FOLLOWED BY FRACTIONATION; BY-PRODUCT OF CUMENE PRODN FROM BENZENE & PROPYLENE.

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

応用分野 · 3 件

用途溶媒、中間体

使用1,4-Diisopropylbenzene is used as an intermediate for the synthesis of stabilizers, polymers, synthetic lubricants and hydroperoxides. It is also used in the trivalent actinide-lanthanide separation by phosphorus reagent extraction from aqueous komplexes (TALSPEAK) process for separating trivalent lanthanides from trivalent actinide cations. It finds application in nuclear fuel reprocessing.

一般的な説明1,4-diisopropylbenzene (DIPB) is one of the components of crude petroleum.