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Home> Hot Product Listed C   > Carbonic acid, dimethyl ester, polymer with 1,6-hexanediol and 2-oxepanone
57-88-5 structure

Carbonic acid, dimethyl ester, polymer with 1,6-hexanediol and 2-oxepanone

CAS No.:57-88-5
Molecular Weight:386.65354
Molecular Formula:C54H32CRN4O12S2.2NA (isomer)
Names and Identifiers
Synonyms

Dimethyl carbonate polymer with 1,6-hexanediol and 2-oxepanone

Inchi
InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Canonical Smiles
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Isomers Smiles
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]
(C4)O)C)C
Properties
Density
1.107
Melting Point
147-150℃
Boiling Point
°Cat760mmHg
Refractive Index
1.525
Flash Point
181.5°C
Alpha
-36 o (C=2, DIOXANE)
HS Code
2906 13 10
Safety and Handling
Risk Statements
R10
Safety Statements
S22;S24/25
HazardClass
IRRITANT
Transport
25kgs
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
Chemical Inspection & Regulation Service Limited 2016
Dishman Netherlands B.V. 2013
Lubrizol Advanced Materials Europe B.V.B.A 2017
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:386.65354g/mol
  • Molecular Formula:C54H32CRN4O12S2.2NA
  • XLogP3-AA:8.7
  • Exact Mass:386.354866
  • Monoisotopic Mass:386.354866
  • Complexity:591
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:8
  • 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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Recommended Suppliers
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  • Tel:86-311-66561638
  • Fax:86-311-66561638
  • Tel:86-571-88938639
  • Fax:86-571-88938652
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  • Fax:86-21-51685790
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  • Tel:86-571-87396430
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  • Tel:86-571-86960370
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