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1,3-Diisopropylbenzene

HCID 178796772
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Grundinformationen

CAS
1398065-59-2
Standard-SMILES
CC(C)c1cccc(C(C)C)c1
InChIKey
UNEATYXSUBPPKP-UHFFFAOYSA-N
Summenformel
C12H18
Durchschnittliche Molmasse
162,27 g/mol

Überblick

1,3-Diisopropylbenzene is an alkylbenzene.

Namen und Bezeichner

Bevorzugter Name
1,3-Diisopropylbenzene
IUPAC
1,3-di(propan-2-yl)benzene
Englischer Name
1,3-Di-iso-propylbenzene-d18
Summenformel
C12H18
Molmasse
162.28

Namen und Synonyme

1,3-DIISOPROPYLBENZENE99-62-7m-DiisopropylbenzeneBenzene, 1,3-bis(1-methylethyl)-Benzene, m-diisopropyl-1,3-Bis(1-methylethyl)benzenem-DiisopropylbenzolHSDB 5325DTXSID8026640EINECS 202-773-1BRN 1905828AI3-08224
Weitere Namen anzeigen
1,3-Di-iso-propylbenzene-d18
482VXW192E3,5-DIISOPROPYLBENZENEDTXCID006640EC 202-773-11,3-DIISOPROPYLBENZENE [HSDB]mDiisopropylbenzolmDiisopropylbenzeneBenzene, mdiisopropyl

Datenbank-Bezeichner

CAS
1398065-59-2
ChEMBL
CHEMBL31352
ChEBI
CHEBI:189570
UNII
482VXW192E
EC Number
202-773-1
Nikkaji
J3.585H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,8
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
2
Schwere Atome
12
Formalladung
0
Komplexität
110

Experimentelle und physikochemische Eigenschaften

SolventsSolvents -> Aromatic Solvents
SpringerMaterials PropertiesBoiling point
LogP4.50
Density · 2 Einträge

0.8559 @ 20 °C/4 °C

0.856 @25 °C

Color/FormCOLORLESS LIQ
Solubility · 3 Einträge

INSOL IN WATER

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

0.0425 mg/mL at 25 °C

Boiling Point · 2 Einträge

203.2 °C @ 760 MM HG

203.2 °C @760 [mm Hg]

Melting Point · 3 Einträge

-61 °C

-63.7 °C

-61 °C

Vapor Pressure · 3 Einträge

0.39 [mmHg]

1 mm Hg at 34.7 °C

1 [mm Hg] @34.700000000000003 °C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.5% (3 of 119) of reports.

Danger

H304 (87.4%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P273, P301+P316, P331, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 119 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzene, 1,3-bis(1-methylethyl)-

Benzene, 1,3-bis(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3-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: 23-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10411

Benzene, 1,3-bis(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline] Not highly toxic in animal feeding studies; Rats showed organ damage, including hepatic, after exposure for 5 weeks to 30-150 ppm 90 minutes daily; [HSDB]
Hazard Classes and Categories · 2 Einträge

Asp. Tox. 1 (87.4%)

Flammable liquids - Category 4

Sicherheit und Schutzausrüstung

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Uses · 4 Einträge

Used as a solvent; chemical intermediate; [HSDB]

SOLVENT; INTERMEDIATE

CHEM INT FOR RESORCINOL & ACETONE

SOLVENT

U.S. Imports · 2 Einträge

(1980) 3.48X10+5 GRAMS (PRINCPL CUSTMS DISTS)

(1982) 8.51X10+5 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 Einträge

2023: 8,500,000 - <10,000,000 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 · 2 Einträge

Petroleum Refineries

Benzene, 1,3-bis(1-methylethyl)-: ACTIVE

Anwendungen

Verwenden1,3-Di-iso-propylbenzene-d18 (CAS# 1398065-59-2) is a useful isotopically labeled research compound.

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Physical Description · 3 Einträge

Liquid

Colorless liquid; [HSDB]

Liquid

Autoignition Temperature840 °F.
Protective Action Criteria (PAC) · 3 Einträge

22 [mg/m3]

240 [mg/m3]

1500 [mg/m3]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Non-Human Toxicity Excerpts · 4 Einträge

RATS WERE EXPOSED TO FUMES IN CONCN OF 0.2 MG/LITER AND 1 MG/LITER 5 HR DAILY 5 TIMES A WK FOR 5 MO. SEXUAL CYCLE WAS DISTURBED. CAPACITY FOR CONCEPTION WAS DECR. AVERAGE NUMBER OF OFFSPRING DECR AS WELL AS THEIR WT.

EXPOSURE OF FEMALE MICE OR RATS TO VAPORS @ 1-3 MG/LITER FOR 30 DAYS DECR FERTILITY OF ANIMALS AND CAUSED MISCARRIAGES & INHIBITION OF GROWTH IN PROGENY.

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. ... Rats and rabbits exposed to 0.2 to 1.0 mg/l (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/l 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.

Anbieter4 Anbieter

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海葑菲医药科技有限公司+8618221552033 · [email protected]