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85665-91-4 | PENTYLCYCLOHEXYL ACETATE
CAS No: 85665-91-4 Catalog No: AG0050IN MDL No:
Product Description
Catalog Number:
AG0050IN
Chemical Name:
PENTYLCYCLOHEXYL ACETATE
CAS Number:
85665-91-4
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
(1-pentylcyclohexyl) acetate
InChI:
InChI=1S/C13H24O2/c1-3-4-6-9-13(15-12(2)14)10-7-5-8-11-13/h3-11H2,1-2H3
InChI Key:
PXKHJCMKWLCRFQ-UHFFFAOYSA-N
SMILES:
CCCCCC1(CCCCC1)OC(=O)C
EC Number:
288-181-4
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Fragrance material review on amylcyclohexyl acetate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20081201 |
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