Grundinformationen
- Standard-SMILES
O=C1OC(=O)C2C3C=CC(C3)C12- InChIKey
KNDQHSIWLOJIGP-UHFFFAOYSA-N- Summenformel
- C9H8O3
- Durchschnittliche Molmasse
- 164,16 g/mol
- Monoisotopische Masse
- 164,04734412
Namen und Bezeichner
- Bevorzugter Name
- 826-62-0
- IUPAC
- 4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- Lokaler Name
- 1,2,3,6-Tetrahydro-3,6-methanophthalsureanhydrid
- Englischer Name
- Nadic anhydride
- Summenformel
- C9H8O3
- Molmasse
- 164.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
129-64-6、2746-19-2、826-62-0- PubChem CID
- 13223
- DTXSID
DTXSID0047456- ChEMBL
CHEMBL268522- EC Number
- 212-557-9
- Nikkaji
- J41.836F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 277
Experimentelle und physikochemische Eigenschaften
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description
Dry Powder
White powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-167 °C(lit.)
- Siedepunkt
- 251.61 °C · 251.61°C (rough estimate)
- Dichte
- 1.2132 · 1.2132 (rough estimate)
- Brechungsindex
- 1.526 · 1.5260 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 0.1 g/10 · diethyl ether: soluble0.1g/10 mL, clear, colorless
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Wichte
- 1.25 · 1.250 (20/4℃)
- Merck
- 14 · 14,1796
- BRN
- 150228 · 150228
- InChI
- InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2
- InChIKey
- KNDQHSIWLOJIGP-UHFFFAOYSA-N
- SMILES
- C1(=O)C2C(C3CC2C=C3)C(=O)O1
- LogP
- -0.04 · -0.040 (est)
- CAS Datenbank
- 826 · 826-62-0(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro- (826-62-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-
Hazard Traits - Respiratory Toxicity
Regulation (EC) No 1935/2004 (amended)
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro- 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: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25593
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (100%)
Eye damage - category 1
Eye Dam. 1
Toxikologische Informationen
Sicherheitsdaten
- F
- 21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1325
- hs_code
- 38220090
- RTECS-Nr.
- DT5600000
- risk_code
- 41-42/43
- Toxizität
- skn-rbt 500 mg/24H MLD 28ZPAK -,140,72
- hazard_code
- Xn
- safety_code
- 22-24-26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Resp. Sens. 1Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Plastics Material and Resin Manufacturing
4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-: ACTIVE
Anwendungen
Verwenden5-Norbornene-2,3-dicarboxylic anhydride, as a copolymer monomer in polyester can coatings up to 18.3 % w/w in the final dry coating, does not pose a safety concern to the consumer under sterilised conditions and prolonged contact with all foodstuffs (except beverages).
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