Grundinformationen
- Standard-SMILES
C1C2OC2C2C1C1CC2C2OC12- InChIKey
BQQUFAMSJAKLNB-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Namen und Bezeichner
- Bevorzugter Name
- Dicyclopentadiene dioxide
- IUPAC
- 4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
- Lokaler Name
- Octahydro-2,4-methano-2H-indeno-(1,2-b:5,6-b')bis-oxiren
- Englischer Name
- Dicyclopentadiene diepoxide
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
81-21-0- PubChem CID
- 6673
- DTXSID
DTXSID4020452- ChEMBL
CHEMBL3184982- EC Number
- 201-334-1
- Nikkaji
- J192.584I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 25,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 277
Experimentelle und physikochemische Eigenschaften
Solubility
SOL IN BENZENE
1.4% IN WATER
18.6% IN METHANOL
44.7% IN ACETONE
18.7% IN ETHER
Physikochemische Eigenschaften
- Schmelzpunkt
- 185 · 185-189 °C(lit.)
- Siedepunkt
- 120 °C · 120°C 10mm
- Dichte
- 1 · 1,331 g/cm3
- Brechungsindex
- 1.546 · 1.5460 (estimate)
- Flammpunkt
- 120 °C/10mm · 120°C/10mm subl.
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Crystals or Crystalline Powder
- Farbe
- White to yellow-beige
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 112743 · 112743
- InChI
- InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
- InChIKey
- BQQUFAMSJAKLNB-UHFFFAOYSA-N
- SMILES
- O1C2CC3C(C12)C1CC3C2C1O2
- CAS Datenbank
- 81 · 81-21-0(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro- (81-21-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-
2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-: 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.
Toxikologische Informationen
Non-Human Toxicity Excerpts
CMPD IS MODERATELY TOXIC FOLLOWING ORAL OR IP ENTRY INTO BODY & PRACTICALLY NONTOXIC ON PERCUTANEOUS ABSORPTION. ... THE LETHAL RANGE WHEN GIVEN ORALLY TO RATS AS 50 TO 140 MG/KG, AND 11 TO 53 MG/KG INTRAPERITONEALLY. ... RABBITS TOLERATED 1 G/KG PERCUTANEOUSLY WITHOUT EFFECT. IN INHALATION EXPERIMENTS A DOSE OF 1 G/CU M FOR 1 HR WAS MODERATELY TOXIC, AND 10 G/CU M FOR 1 HR WAS LETHAL TO 5 OF 6 TEST ANIMALS. SATURATED VAPORS WERE NONLETHAL TO RATS IN 8 HR EXPOSURE. ... MILDLY IRRITATING BUT NO CORNEAL INJURY IN RABBITS WITH TEST QUANT OF 0.05 G. 40% SOLN WAS LEAST CONCN TO CAUSE BARELY DETECTABLE INJURY. ... SKIN IRRITATION. UNDIL MATERIAL CAUSED REDNESS OF SHORT DURATION.
DICYCLOPENTADIENE DIOXIDE DID NOT SHOW ANY ALLERGENIC PROPERTIES WHEN APPLIED IN 10-50% SOLN TO SKIN OF GUINEA PIGS FOR 5-15 DAYS.
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29109000
- RTECS-Nr.
- PB9625200
- risk_code
- 22-36
- Toxizität
- LD50 orl-rat: 210 mg/kg UCDS** 10/5/61
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- 6.1
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Giftige Stoffe Daten
- 81-21-0(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as an intermediate for epoxy resins, plasticizers, and protective coatings; as a rubber additive; and for high temperature and high performance adhesives; [HSDB]
Working with Glues and Adhesives [Category: Other]
INTERMEDIATE FOR EPOXY RESINS, PLASTICIZERS, PROTECTIVE COATINGS
RUBBER ADDITIVE, EG, FOR CRACK PREVENTION & ADHESION
For high temp & high performance system, adhesives
U.S. Production
(1979) PROBABLY GREATER THAN 2.72X10+6 G
(1980) PROBABLY GREATER THAN 2.72X10+6 G
General Manufacturing Information
2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro-: ACTIVE
AVAIL IN EXPTL QUANT, THIS DIFUNCTIONAL EPOXIDE IS SUGGESTED FOR USE AS PRIMARY BUILDING BLOCK FOR EPOXY RESIN SYSTEM. IT HAS ALSO BEEN SUGGESTED IN MODIFICATION OF ALKYD RESINS, AS PLASTICIZER, & AS CHEMICAL INTERMEDIATE.
Anwendungen
VerwendenDicyclopentadiene diepoxide acts as an intermediate for epoxy resins, plasticizers and protective coatings. It finds application as a rubber additive and adhesives, which is used at high temperature. Further, it is used in the preparation of endo-3-hydroxy-exo-9-oxa-exo-tetracyclo[5.3.1.02,6.08,10]undecane using lithium aluminum hydride as a reagent.
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