SS-Phellandrene

CAT: 0127-BUP21669Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21669Size:1 mg

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CAS Number

555-10-2

Synonyms

Beta-Phellandrene , p-mentha-1 (7),2-diene

MDL Number

MFCD23701544

Purity

=95%

Smiles

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

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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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

Related Products

Catalog	Name
OR1023659-01	(-) -a-Phellandrene
OR1007661-01	SS-Lactose
OR1007218	SS-Thujaplicinol
OR1006469	SS-Bisabolene
BUP00142-01	SS-Gentiobiose
BUP12198-01	SS-Aminoarteether
BUP18683-01	SS-Caryophyllene
BUP00096	SS-Cyclocitral
BUP19914-01	SS-Ocimene
BUP14352-01	SS-Anomer

Alternative Products

Catalog	Name
FP161129-01	α-Phellandrene
464838	Î²-Phellandrene
469749-01	β-Phellandrene
AR-T04547-01	A-Phellandrene
AR-M03705-01	(-) -a-Phellandrene
EAA22198-01	(R) -±-Phellandrene
TRC-P294560-1G	Beta-Phellandrene
HY-N8573S	β-Phellandrene-d2
TRC-P294570-2.5ML	(R)-a-Phellandrene
469469-01	α-Phellandrene-D3

SS-Phellandrene

Chemical Information

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