Cas no 2243-33-6 (1,3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-, (5S)-)
2243-33-6 structure
Product Name:1,3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-, (5S)-
1,3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-, (5S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-, (5S)-
- (S)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
- (+)-α-phellandrene,(+)-(4S)-α-phellandrene
- 2243-33-6
- .ALPHA.-PHELLANDRENE, (+)-
- (+)-.alpha.-phellandrene
- d-Phellandrene
- NS00124028
- (4S)-p-mentha-1(6),2-diene
- 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (5S)-
- OGLDWXZKYODSOB-JTQLQIEISA-N
- (4S)-p-mentha-1,5-diene
- R-(-)-a-PHELLANDRENE with GC
- .ALPHA.-PHELLANDRENE D-FORM
- d-alpha-Phellandrene
- alpha-Phellandrene, (+)-
- (S)-alpha-Phellandrene
- p-Mentha-1,5-diene, (S)-(+)-
- (5S)-2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
- E45FS72C5K
- (+)-alpha-phellandrene
- D-.ALPHA.-PHELLANDRENE
- (5S)-5-isopropyl-2-methylcyclohexa-1,3-diene
- .ALPHA.-PHELLANDRENE, D-
- (S)-(+)-alpha-Phellandrene
- Q25933668
- DTXSID00904736
- (S)-(+)-.ALPHA.-PHELLANDRENE
- CHEBI:367
- .ALPHA.-PHELLANDRENE D-FORM [MI]
- UNII-E45FS72C5K
-
- Inchi： 1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m0/s1
- InChI Key： OGLDWXZKYODSOB-JTQLQIEISA-N
- SMILES： [C@@H]1(C=CC(C)=CC1)C(C)C
Computed Properties
- Exact Mass: 136.12528
- Monoisotopic Mass: 136.125
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 161
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: d425 0.8463
- Boiling Point: bp16 66-68°
- Flash Point: 43.7°C
- Refractive Index: nD25 1.4777
- PSA: 0
- Specific Rotation: D16 +86.4°
1,3-Cyclohexadiene,2-methyl-5-(1-methylethyl)-, (5S)- Related Literature
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Leandro Cid Gomes,Anup Rana,Mathias Berglund,Per Wiklund,Henrik Ottosson Sustainable Energy Fuels 2023 7 868
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F. A. Mackenzie-Rae,A. Karton,S. M. Saunders Phys. Chem. Chem. Phys. 2016 18 27991
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Yichen Hu,Jiaoyang Luo,Weijun Kong,Jinming Zhang,Antonio F. Logrieco,Xizhi Wang,Meihua Yang RSC Adv. 2015 5 41967
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4. Inter-moieties reactivity correlations: an approach to estimate the reactivity endpoints of major atmospheric reactants towards organic chemicalsShikha Gupta,Nikita Basant,Dinesh Mohan,Kunwar P. Singh RSC Adv. 2016 6 50297
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Dattatraya H. Dethe,Appasaheb K. Nirpal Org. Biomol. Chem. 2019 17 7507
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