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Home> Hot Product Listed R   > Resins, olibanum
529-44-2 structure

Resins, olibanum

Iupac Name:3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CAS No.:529-44-2
EINECS(EC#): 232-476-2
Molecular Weight:318.237
Molecular Formula:RA (isomer)
Names and Identifiers
Synonyms

Boswellia carterii gum Boswellia carterii oleoresin Boswellia gum Boswellia serrata gum Boswellia serrata resin Boswellia serrataoleoresin Boswelliacarterii resin Frankincense Gum thus Olibanum Olibanum gum Resins,frankincense Salai guggal

Inchi
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChkey
IKMDFBPHZNJCSN-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Properties
Density
1.567
Melting Point
360℃
Refractive Index
1.864
Safety and Handling
Safety Statements
S24/25
Safety

 Olibanum oil (CAS NO.8050-07-5) is a skin irritant. When  Olibanum oil (CAS NO.8050-07-5) is heated to decomposition ,it emits acrid smoke and irritating fumes.

Toxicity
1.    

skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 16 (1978),837.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 529-44-2 EC: 232-476-2 Resins, olibanum ·ECHA C&L Inventory for CAS: CAS: 529-44-2 EC: 232-476-2 Resins, olibanum
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:318.237g/mol
  • Molecular Formula:RA
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.2
  • Exact Mass:318.038
  • Monoisotopic Mass:318.038
  • Complexity:506
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:148A^2
  • Heavy Atom Count:23
  • 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: AAADccBwPAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAAwBoAABgCI AqBSAAICCAAkIAAAiAFGiMgNJzaGNRqCeWGl4BUJuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAA AA==
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