Basic information
- CAS
69011-30-9- Standard SMILES
C=CC(=O)OCCO.CCO.Cc1c(N=C=O)cccc1N=C=O.O=C(O)CCCCC(=O)O- InChIKey
ZVUBJLUTMOPHOM-UHFFFAOYSA-N- Molecular formula
- C22H30N2O10
- Average molar mass
- 482.5 g/mol
Names & identifiers
- Preferred name
- 1,3-Diisocyanato-2-methylbenzene;ethanol;hexanedioic acid;2-hydroxyethyl prop-2-enoate
- IUPAC
- 1,3-diisocyanato-2-methylbenzene;ethanol;hexanedioic acid;2-hydroxyethyl prop-2-enoate
- English name
- Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol, 2-hydroxyethyl acrylate-blocked
- Molecular formula
- C22H30N2O10
- Molecular weight
- 482.481
Names & synonyms
RefChem:4144921,3-diisocyanato-2-methylbenzene;ethanol;hexanedioic acid;2-hydroxyethyl prop-2-enoate686-663-2ZVUBJLUTMOPHOM-UHFFFAOYSA-NTDI/ ethylene glycol/ adipic acid, 2-hydroxyethyl acrylateHexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol, 2-hydroxyethyl acrylate-blocked
Database identifiers
- CAS
69011-30-9- PubChem CID
- 172369
- EC Number
- 686-663-2
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- EPA Substance Registry System
- 1 · Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol, 2-hydroxyethyl acrylate-blocked (69011-30-9)
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…