β-Phellandrene (Standard)

CAT: 0804-HY-N8573R-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N8573R-01Size:5 mg

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Description

β-phellandrene is an orally active monocyclic monoterpenes. β-Phellandrene is obtained from Carum petroselinum. β-phellandrene has strong ability to kill pest. β-phellandrene can be used as oil additives, natural pesticides and synthetic materials[1][2].

CAS Number

555-10-2

UNSPSC

12352211

Target

Bacterial

Related Pathways

Anti-infection

Field of Research

Infection

Smiles

CC(C(C=C1)CCC1=C)C

Molecular Formula

C10H16

Molecular Weight

136.23

References & Citations

[1]Mariotti, J. P., et al. Composition and variability of the essential oil of Stachys glutinosa L. from Corsica (France) . |[2]Cheng Z, et al. The research of genetic toxicity of β-phellandrene. Environ Toxicol Pharmacol. 2017 Sep;54:28-33.

Shipping Conditions

Room temperature

Scientific Category

Reference Standards

Chemical Information

Beta-Phellandrene

Beta-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which one double bond is exocyclic (cf. alpha-phellandrene, where both of them are endoocyclic). It has a role as a plant metabolite.

CAS Number	555-10-2
PubChem CID	11142
IUPAC Name	3-methylidene-6-propan-2-ylcyclohexene
Molecular Formula	C10H16
Molecular Weight	136.23
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	151

SMILES

CC(C)C1CCC(=C)C=C1

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3

InChIKey

LFJQCDVYDGGFCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 555-10-2

CID: 11142

Formula: C10H16

MW: 136.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	136.23
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	136.125200510
Monoisotopic Mass	136.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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FP161129-01	α-Phellandrene
464838	Î²-Phellandrene
469749-01	β-Phellandrene
OR1023659-01	(-) -a-Phellandrene
AR-T04547-01	A-Phellandrene
EAA22198-01	(R) -±-Phellandrene
TRC-P294560-1G	Beta-Phellandrene
TRC-P294570-2.5ML	(R)-a-Phellandrene
469469-01	α-Phellandrene-D3
sc-250855A	(R) - (-) -α-Phellandrene

β-Phellandrene (Standard)

Chemical Information

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