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Cardanol (Mixture) (>80%)

CAT: 0572-TRC-C183383-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C183383-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37330-39-5
Synonyms
Card-phenol; Cardolite NC 700; EJ-C 513; GX 2512; Lite 2013; NX 2021
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
C=CC/C=C\C/C=C\CCCCCCCC1=CC(O)=CC=C1.CCC/C=C\C/C=C\CCCCCCCC2=CC(O)=CC=C2.OC3=CC=CC(CCCCCCCCCCCCCCC)=C3.OC4=CC=CC(CCCCCCC/C=C\CCCCCC)=C4
Molecular Formula
C84 H132 O4
Molecular Weight
1205.98
InChI
InChI=1S/C21H36O.C21H34O.C21H32O.C21H30O/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3;7-8,15,17-19,22H,2-6,9-14,16H2,1H3;4-5,7-8,15,17-19,22H,2-3,6,9-14,16H2,1H3;2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b;8-7-;2*5-4-,8-7-
Additionnal Information
IUPAC name: 3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)phenol and 3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)phenol and (Z)-3-(pentadec-8-en-1-yl)phenol and 3-pentadecylphenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cardanol

Cardanol is a member of phenols.

CAS Number37330-39-5
PubChem CID11266523
IUPAC Name3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol
Molecular FormulaC21H30O
Molecular Weight298.5
XLogP7.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Heavy Atom Count22
Formal Charge0
Complexity316
SMILES
C=CC/C=C\C/C=C\CCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2/b5-4-,8-7-
InChIKey
JOLVYUIAMRUBRK-UTOQUPLUSA-N
Chemical Structure
2D Structure
2D structure of Cardanol
CAS: 37330-39-5
CID: 11266523
Formula: C21H30O
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP37.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Exact Mass298.229665576
Monoisotopic Mass298.229665576
Topological Polar Surface Area20.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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