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Home> Encyclopedia > Hot Product Listed 2   > 2,4-Imidazolidinedione,5-ethyl-5-methyl-1,3-bis(2-oxiranylmethyl)-
54639-48-4 structure

2,4-Imidazolidinedione,5-ethyl-5-methyl-1,3-bis(2-oxiranylmethyl)-

Iupac Name:benzhydryl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No.:54639-48-4
Molecular Weight:500.569
Molecular Formula:C16H21N3O (isomer)
Names and Identifiers
Synonyms

1,3-Diglycidyl-5-ethyl-5-methylhydantoin 2,4-Imidazolidinedione, 5-ethyl-5-methyl-1,3-bis(oxiranylmethyl)- 2,4-Imidazolidinedione,5-ethyl-5-methyl-1,3-bis(oxiranylmethyl)- (9CI) 5-Ethyl-1,3-diglycidyl-5-methylhydantoin 5-ETHYL-5-METHYL-1,3-BIS(OXIRANYLMETHYL)-2,4-IMIDAZOLIDINEDIONE 5-ethyl-5-methyl-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione Hydantoin, 1,3-bis(2,3-epoxypropyl)-5-ethyl-5-methyl-(8CI)

Inchi
InChI=1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,16-17H2,(H,29,32)/t23-,27-/m1/s1
InChkey
HJINVAQLVZRFTL-YIXXDRMTSA-N
Canonical Smiles
C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O
Properties
Density
0.96
Boiling Point
221.5°Cat760mmHg
Refractive Index
1.725
HS Code
2941905990
Safety and Handling
Safety

A poison by ingestion. A severe eye irritant. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Toxicity
1.    

eye-rbt 100 mg SEV

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0683-0418S .
2.    

mma-sat 2 mg/plate

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0683-0418S .
3.    

otr-mus:fbr 980 µg/L

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0683-0418S .
4.    

msc-mus:lyms 1500 µg/L

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0683-0418S .
5.    

cyt-ham-orl 5 g/kg/2D-C

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0683-0418S .
6.    

orl-rat LD50:250 mg/kg

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401M St., S.W., Washington, DC 20460) History Unknown 8EHQ-0683-0418S .
7.    

orl-mus LD50:479 mg/kg

    EPASR*    United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental
Specification

 5-Ethyl-1,3-diglycidyl-5-methyl-hydantoin ,its CAS NO. is 15336-82-0,the synonyms is 5-Ethyl-5-methyl-1,3-bis(oxiranylmethyl)imidazolidine-2,4-dione ; 2,4-Imidazolidinedione, 5-ethyl-5-methyl-1,3-bis(oxiranylmethyl)- ; 5-Ethyl-5-methyl-1,3-bis(oxiranylmethyl)-2,4-imidazolidinedione .

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Respiratory sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H317 May cause an allergic skin reaction

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:500.569g/mol
  • Molecular Formula:C16H21N3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.4
  • Exact Mass:500.141
  • Monoisotopic Mass:500.141
  • Complexity:840
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:36
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OABAAAAAAAAAAAAAAABYAAAAAAAwYMEAAAAQAAABUAAAHgQQCAAADDzl2AawCIPABgiI AiXSWAACAABgIBAIiIGICMgKZjqgtTmXMAAk1gG4qQeYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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