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Citronellol acetate, (R) -

CAT: 0931-T30951Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30951Size:25 mg
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CAS Number
20425-54-1
Bioactivity
Citronellol acetate, (R) - is a biochemical.
Smiles
[C@@H](CCC=C(C)C)(CCOC(C)=O)C
Molecular Formula
C12H22O2
Molecular Weight
198.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-

(R)-citronellol acetate has been reported in Citrus reticulata, Leptospermum scoparium, and other organisms with data available.

CAS Number20425-54-1
PubChem CID6708682
IUPAC Name[(3R)-3,7-dimethyloct-6-enyl] acetate
Molecular FormulaC12H22O2
Molecular Weight198.30
XLogP3.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity190
SMILES
C[C@H](CCC=C(C)C)CCOC(=O)C
InChI
InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1
InChIKey
JOZKFWLRHCDGJA-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate, (3R)-
CAS: 20425-54-1
CID: 6708682
Formula: C12H22O2
MW: 198.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.30
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5780574Citronellol acetate, (R)-
GTR19195040Citronellol acetate, (R) -
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FC175239-01Citronellol
RM-C201209-01β-Citronellol
sc-294094(±) -β-Citronellol
FD157131-01(R) - (+) -β-Citronellol
HY-W010201R-01Citronellol (Standard)
464364-01Rac-Citronellol
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