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Home> Hot Product Listed A   > AKOS009847233
13048-33-4 structure

AKOS009847233

Iupac Name:6-prop-2-enoyloxyhexyl prop-2-enoate
CAS No.:13048-33-4
Molecular Weight:226.26900
Molecular Formula:C18H21CLN2OS (isomer)
Names and Identifiers
Synonyms

4-[5-(2,4-dimethylphenyl)-1h-imidazol-2-yl]piperidine AKOS022557390

Inchi
InChI=1S/C12H18O4/c1-3-11(13)15-9-7-5-6-8-10-16-12(14)4-2/h3-4H,1-2,5-10H2
InChkey
FIHBHSQYSYVZQE-UHFFFAOYSA-N
Canonical Smiles
C=CC(=O)OCCCCCCOC(=O)C=C
Properties
Melting Point
6°C
Refractive Index
n20/D 1.456(lit.)
HS Code
2916190090
Safety and Handling
Risk Statements
R36/38; R43
Safety Statements
S39
HazardClass
9
PackingGroup
III
Transport
UN 3082 9/PG 3
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
3M Belgium BVBA/SPRL 2014
Allnex Belgium NV/SA 2015
Allnex Belgium NV/SA OR 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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:226.26900g/mol
  • Molecular Formula:C18H21CLN2OS
  • Compound Is Canonicalized:True
  • Exact Mass:226.121
  • Monoisotopic Mass:226.121
  • Complexity:219
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • 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: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAIACAAABACI ACDSCAAAAAAAAAAIAAAAAEAABAIAIAACAAAEAAAAIIGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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