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Home> Hot Product Listed Z   > ZINC20156564
103-60-6 structure

ZINC20156564

Iupac Name:2-phenoxyethyl 2-methylpropanoate
CAS No.:103-60-6
Molecular Weight:208.25364
Molecular Formula:C18H24N4O4S (isomer)
Names and Identifiers
Synonyms

2-(diethylamino)-4-methylthiazole-5-carboxylic acid 2-diethylamino-4-methyl-thiazole-5-carboxylic acid AK504637 AKOS000506091

Inchi
InChI=1/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChkey
MJTPMXWJHPOWGH-UHFFFAOYSA-N
Canonical Smiles
CC(C)C(=O)OCCOC1=CC=CC=C1
Properties
Vapour
0.002mmHg at 25°C
Refractive Index
1.493
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 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Bell Flavors & Fragrances GmbH 2013
Symrise AG 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:208.25364g/mol
  • Molecular Formula:C18H24N4O4S
  • Exact Mass:208.109944
  • Monoisotopic Mass:208.109944
  • Complexity:183
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5
  • Heavy Atom Count:15
  • 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
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