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Terpinolene

CAT: 1596-AR-C08615-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C08615-02Size:25 Units
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CAS Number
586-62-9
Synonyms
1-methyl-4- (propan-2-ylidene) cyclohex-1-ene
Molecular Formula
C10H16
Molecular Weight
136.24
API Name
Cyclohexanone

Chemical Information

Terpinolene

Terpinolene is a p-menthadiene with double bonds at positions 1 and 4(8). It has a role as a volatile oil component, a sedative, an insect repellent and a plant metabolite.

CAS Number586-62-9
PubChem CID11463
IUPAC Name1-methyl-4-propan-2-ylidenecyclohexene
Molecular FormulaC10H16
Molecular Weight136.23
XLogP2.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity178
SMILES
CC1=CCC(=C(C)C)CC1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey
MOYAFQVGZZPNRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Terpinolene
CAS: 586-62-9
CID: 11463
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass136.125200510
Monoisotopic Mass136.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-M03706-01Gamma-Terpinene
AR-T04553-01Alpha-Terpinene

Alternative Products

CatalogName
OR1079012-01Terpinolene
TRC-T116630-1GTerpinolene (~90%)
CS-T-103555Terpinolene-D6
TRC-T116630-250MGTerpinolene (>85%)
467017-01Terpinolene-D6 discontinued
MBS1367877Recombinant Abies grandis Terpinolene synthase, chloroplastic (ag9), partial
MBS1487977Recombinant Ocimum basilicum Terpinolene synthase, chloroplastic (TES), partial

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