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Rosin, polymer with glycerol, phthalic anhydride and safflower oil structure
Rosin, polymer with glycerol, phthalic anhydride and safflower oil structure

Rosin, polymer with glycerol, phthalic anhydride and safflower oil

Iupac Name:7-methoxy-3,4-dihydro-1H-naphthalen-2-one
CAS No.:4133-34-0
Molecular Weight:176.215
1. Names and Identifiers
1.1 Name
Rosin, polymer with glycerol, phthalic anhydride and safflower oil
1.2 Synonyms

Rosin-phthalic anhydride-glycerin-safflower oil polymer Safflower oil, polymer with glycerol, phthalic anhydride and rosin

1.3 CAS No.
4133-34-0
1.4 CID
77785
1.5 Molecular Formula
(C15H16O2.C9H16O4.C9H4O5.C3H5ClO.Unspecified)x (isomer)
1.6 Inchi
InChI=1S/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3
1.7 InChkey
XEAPZXNZOJGVCZ-UHFFFAOYSA-N
1.8 Canonical Smiles
COC1=CC2=C(CCC(=O)C2)C=C1
1.9 Isomers Smiles
COC1=CC2=C(CCC(=O)C2)C=C1
2. Properties
3.1 Melting point
27 - 28
3.1 Refractive index
1.559-1.563
3.1 Precise Quality
176.08400
3.1 PSA
26.30000
3.1 logP
1.75300
3. Safety and Handling
4.1 Risk Statements
R20/21/22
4.1 Safety Statements
S24/25
4.1 RIDADR
200kgs
4.1 WGK Germany
3
4. 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

5. Computational chemical data
  • Molecular Weight:176.215g/mol
  • Molecular Formula:(C15H16O2.C9H16O4.C9H4O5.C3H5ClO.Unspecified)x
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.6
  • Exact Mass:176.083729621
  • Monoisotopic Mass:176.083729621
  • Complexity:200
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:13
  • 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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