Cas no 85006-04-8 (Isocitronellene)
Isocitronellene structure
Product Name:Isocitronellene
CAS No:85006-04-8
MF:C10H18
MW:138.249923229218
CID:729611
PubChem ID:10964588
Update Time:2025-04-19
Isocitronellene Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Octadiene,5,7-dimethyl-, (5R)-
- ISOCITRONELLENE
- Einecs 285-035-1
- Isocitronellene
-
- Inchi： 1S/C10H18/c1-5-6-7-10(4)8-9(2)3/h5,8,10H,1,6-7H2,2-4H3/t10-/m1/s1
- InChI Key： FYZHLRMYDRUDES-SNVBAGLBSA-N
- SMILES： [C@H](C)(/C=C(\C)/C)CCC=C
Computed Properties
- Exact Mass: 138.14100
- Monoisotopic Mass: 138.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 116
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 4.2
Experimental Properties
- Density: 0.752?g/mL?at 20?°C(lit.)
- Boiling Point: 151-153?°C(lit.)
- Flash Point: 20?°C
- Refractive Index: n20/D 1.435
- PSA: 0.00000
- LogP: 3.55490
Isocitronellene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I812313-2.5mg |
Isocitronellene |
85006-04-8 | 2.5mg |
$ 138.00 | 2023-09-07 | ||
| TRC | I812313-25mg |
Isocitronellene |
85006-04-8 | 25mg |
$ 1064.00 | 2023-09-07 |
Isocitronellene Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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