(-)-beta-Phellandrene
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Basic information
- CAS
6153-17-9- Standard SMILES
C=C1C=C[C@@H](C(C)C)CC1- InChIKey
LFJQCDVYDGGFCH-SNVBAGLBSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Overview
(-)-beta-phellandrene is a beta-phellandrene in which the chiral centre has R configuration. It has a role as a plant metabolite. It is an enantiomer of a (+)-beta-phellandrene.
Names & identifiers
- Preferred name
- (-)-beta-Phellandrene
- IUPAC
- (6R)-3-methylidene-6-propan-2-ylcyclohexene
- English name
- 3-methylidene-6-propan-2-yl-cyclohexene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
(-)-beta-Phellandrene6153-17-9V8A8NZ60JW(6R)-3-methylidene-6-(propan-2-yl)cyclohex-1-eneCyclohexene, 3-methylene-6-(1-methylethyl)-, (-)-CHEBI:129(6R)-3-methylidene-6-propan-2-ylcyclohexeneDTXSID201316042RefChem:905538beta-phellandrene, (-)-DTXCID701745917beta-Phellandrene l-form
Show more names
(-)-β-Phellandrene(R)-p-Mentha-1(7),2-diene(R)-3-Isopropyl-6-methylene-1-cyclohexene[R,(-)]-3-Methylene-6-(1-methylethyl)cyclohexeneCyclohexene, 3-methylene-6-(1-methylethyl)-, (6R)-
UNII-V8A8NZ60JW(-)-p-mentha-1(7),2-diene(4R)-p-mentha-1(7),2-diene(R)-3-isopropyl-6-methylenecyclohexene(3R)-3-isopropyl-6-methylenecyclohexeneL-beta-Phellandrene.delta.-phellandrenep-Mentha-1(7),2-diene, (-)-
Database identifiers
- CAS
6153-17-9- PubChem CID
- 443161
- DTXSID
DTXSID201316042- ChEBI
CHEBI:129- UNII
- V8A8NZ60JW
- Nikkaji
- J85.998B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- alpha
- 20 · D20 -51.9°
- Boiling point
- 758 · bp758 178-179°; bp12 53°
- Density
- 1515 · d1515 0.8497
- refractive index
- 20 · nD20 1.4800
- LogP
- 4.354 · 4.354 (est)
- FDA UNII
- 8 A8NZ60JW · V8A8NZ60JW
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: A beta-phellandrene in which the chiral centre has R configuration.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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