CAS: 112-14-1
Nombre: octyl acetate
SMILES:
CCCCCCCCOC(=O)CMolecular Processing
Molecular formula
C10H20O2
Molecular weight
172.27
Exact mass
172.1463
XLogP
2.91
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
50.01
Supplementary Information
InChIKey: YLYBTZIQSIBWLI-UHFFFAOYSA-N
Sinónimos
Octyl acetate112-14-1n-Octyl acetateAcetic acid, octyl esterCaprylyl acetateOctyl ethanoaten-Octanyl acetateOctyl alcohol acetateOctyl acetate, normalFEMA No. 2806DTXSID8044202X0FN2J413SNSC-67348DTXCID6024202CHEBI:87495RefChem:167871203-939-6Acetic acid octyl ester1-Octyl acetate1-Octanol acetateAcetate C-8n-Octyl ethanoateAcetic acid n-octyl esterMFCD00009562octanol acetateNSC 67348Octyl acetate (natural)EINECS 203-939-6BRN 1754554octylacetate
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