1,4-ジイソプロピルベンゼン
1,4-Diisopropylbenzene
基本情報
- CAS
100-18-5- 標準SMILES
CC(C)c1ccc(C(C)C)cc1- InChIKey
SPPWGCYEYAMHDT-UHFFFAOYSA-N- 分子式
- C12H18
- 平均分子量
- 162.27 g/mol
- 単同位体質量
- 162.14085057
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%Benzene,1,4-bis(1-methylet
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 Ų
- 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
0.8568 AT 20 °C/4 °C
0.8568 @ 20°C
Color/FormLiquid
Solubility
INSOL IN WATER
Sol in all proportions of alcohol, ether, acetone, benzene.
Boiling Point
210.3 °C
210.3 °C @760 [mm Hg]
Melting Point
-17.1 °C
-17 °C
Vapor Pressure
0.24 [mmHg]
1 MM HG AT 40.0 °C
Physical Description
Liquid; Gas Vapor
White solid; [HSDB] Colorless liquid; [MSDSonline]
物理化学的性質
- 融点
- 17 °C · −17 °C (lit.)
- 沸点
- 210 °C · 210 °C
- 比重(密度)
- 0.86 · 0.86
- 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
- 1.49 · 1.49
- 闪点
- 75 °C · 75 °C
- 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
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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)
REACH registered substance: 1,4-diisopropylbenzene (EC: 202-826-9)
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
Skin Irrit. 2 (74.7%)
Flammable liquids - Category 4
安全と保護具
Protective Action Criteria (PAC)
2.7 [mg/m3]
30 [mg/m3]
180 [mg/m3]
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
Non-Human Toxicity Excerpts
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)
- 危険度評価（NFPA 704基準/消防庁データ）
- 人的[青]=0 火災[赤]=2
化学と産業
用途と製造
Uses
Used as a solvent and chemical intermediate; [HSDB]
SOLVENT; INTERMEDIATE
CHEM INT, EG, FOR HYDROQUINONE & ACETONE
U.S. Production
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.
General Manufacturing Information
Petroleum Refineries
Benzene, 1,4-bis(1-methylethyl)-: ACTIVE
応用分野
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.
上流・下流製品情報
上流原料
下流製品
関連反応
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