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Neryl acetate

CAT: 0013-GTR19166634-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19166634-01Size:1 ml x 10 mM (in DMSO)
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Description
Neryl acetate, also known as acetic acid neryl ester, is a fragrant compound employed in fragrance creation and as a flavoring agent. In research contexts, it is studied for its potential biological activities, including investigations into its antimicrobial and antioxidant properties in vitro.
CAS Number
141-12-8
Product Name Alternative
Inhibitor, inhibit, Neryl, Neryl acetate, Neryl Acetate, Nerol acetate, Nerol Acetate, cis-Geranyl Acetate, cis-Geranyl acetate, Acetic acid neryl ester
Purity
97.15% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (10.19 mM) ; DMSO:27.5 mg/mL (140.1 mM)
Smiles
CC (C) =CCC\C (C) =C/COC (C) =O
Molecular Formula
C12H20O2
Molecular Weight
196.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neryl acetate

Neryl acetate is an acetate ester resulting from the formal condensation of the hydroxy group of nerol with the carboxy group of acetic acid. It has a role as a volatile oil component, a fragrance and a plant metabolite. It is a monoterpenoid, an acetate ester and an olefinic compound. It is functionally related to a nerol.

CAS Number141-12-8
PubChem CID1549025
IUPAC Name[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP3.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity233
SMILES
CC(=CCC/C(=C\COC(=O)C)/C)C
InChI
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKey
HIGQPQRQIQDZMP-FLIBITNWSA-N
Chemical Structure
2D Structure
2D structure of Neryl acetate
CAS: 141-12-8
CID: 1549025
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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