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Rose oxide

CAT: 0013-GTR19254648-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19254648-02Size:1 g
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Description
Rose oxide is a pyran derivative widely used in biochemical experiments and drug synthesis research.
CAS Number
16409-43-1
Product Name Alternative
4-Methyl-2- (2-methylprop-1-en-1-yl) tetrahydro-2H-pyran, (Z) -rose oxide
Purity
99.85% (May vary between batches)
Smiles
O1CCC (C) CC1C=C (C) C
Molecular Formula
C10H18O
Molecular Weight
154.25
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Rose oxide

Rose oxide is a member of the class of oxanes that is tetrahydro-2H-pyran which is substituted at positions 2 and 4 by an isoprop-1-enyl group and a methyl group, respectively. Organic compound of the pyran class and the monoterpene class and a fragrance found in roses and rose oil. All four possible stereoisomers are known; the 2S,4R and 2S,4S diastereoisomers [also known as the ()-cis- and ()-trans-isomers, respectively] are the main constituents in several essential oils and are used as a food flavouring and in perfumes and cosmetics. It has a role as a plant metabolite. It is a monoterpenoid, a member of oxanes and an olefinic compound.

CAS Number16409-43-1
PubChem CID27866
IUPAC Name4-methyl-2-(2-methylprop-1-enyl)oxane
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP2.9
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity145
SMILES
CC1CCOC(C1)C=C(C)C
InChI
InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3
InChIKey
CZCBTSFUTPZVKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rose oxide
CAS: 16409-43-1
CID: 27866
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity145
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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