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Home> Hot Product Listed I   > icosyl acrylate
53-43-0 structure

icosyl acrylate

Iupac Name:(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CAS No.:53-43-0
Molecular Weight:288.42400
Molecular Formula:C20H40N4O3 (isomer)
Names and Identifiers
Synonyms

2-propenoic acid, eicosyl ester AC1Q67G7 acm48076386 acrylic acid icosyl ester CTK1D6957 DTXSID0068494 icosyl prop-2-enoate Icosylacrylat LP011333 NGYRYRBDIPYKTL-UHFFFAOYSA-N Propenoic acid icosyl ester propenoic acid, eicosyl ester SCHEMBL4816052 unii-yq7asd31o2 YQ7ASD31O2

Inchi
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
InChkey
FMGSKLZLMKYGDP-USOAJAOKSA-N
Canonical Smiles
CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C
Isomers Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C
Properties
Density
1.495
Melting Point
146-151ºC
Refractive Index
1.56
Alpha
12 o (C=2, ETHANOL 96% 25 oC)
HS Code
2937290090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Bayer AG 2012
Bayer AG 2012
Gedeon Richter Plc. 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

Reproductive toxicity, Additional category for effects on or via lactation

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

H362 May cause harm to breast-fed children

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P263 Avoid contact during pregnancy and while nursing.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:288.42400g/mol
  • Molecular Formula:C20H40N4O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.2
  • Exact Mass:288.209
  • Monoisotopic Mass:288.209
  • Complexity:508
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:6
  • 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: AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAADxSggAICAAAAAgCI AqBSAAAAAAAgAAAACAEAAAgAEBIAAQAAQAAEwAAIAAOIyPCPgAAAAAAAAADAAAQAACAAAAAACAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
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  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
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