Synonym
Apopinene; Apopinen; NSC-54388; NSC 54388; NSC54388;
IUPAC/Chemical Name
6,6-dimethylbicyclo[3.1.1]hept-2-ene
InChi Key
SUEFRHDDZDWKFN-UHFFFAOYSA-N
InChi Code
1S/C9H14/c1-9(2)7-4-3-5-8(9)6-7/h3-4,7-8H,5-6H2,1-2H3
SMILES Code
CC1(C)C2CC1C=CC2
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
122.21
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Szakonyi Z, Fülöp F. Monoterpene-based chiral β-amino acid derivatives prepared from natural sources: syntheses and applications. Amino Acids. 2011 Aug;41(3):597-608. doi: 10.1007/s00726-011-0891-5. Epub 2011 Mar 30. PMID: 21448657.
2: Ibrahim M, Du X, Agarwal M, Hardy G, Abdulhussein M, Ren Y. Influence of Benzyladenine on Metabolic Changes in Different Rose Tissues. Plants (Basel). 2018 Nov 2;7(4):95. doi: 10.3390/plants7040095. PMID: 30400246; PMCID: PMC6313934.
3: Smith GV, Desai DS. Hydrogenation, racemization, and exchange of (+)-apopinene on platinum, rhodium, and palladium catalysts: a possible (1,3)-sigmatropic shift. Ann N Y Acad Sci. 1973 Jun 15;214:20-39. doi: 10.1111/j.1749-6632.1973.tb49518.x. PMID: 4518130.
4: Upshur MA, Chase HM, Strick BF, Ebben CJ, Fu L, Wang H, Thomson RJ, Geiger FM. Vibrational Mode Assignment of α-Pinene by Isotope Editing: One Down, Seventy-One To Go. J Phys Chem A. 2016 May 5;120(17):2684-90. doi: 10.1021/acs.jpca.6b01995. Epub 2016 Apr 26. PMID: 27063197.
5: Abraham RJ, Ashley Cooper M. A molecular mechanics and ab initio prediction of the 1 H chemical shifts of pinanes. Magn Reson Chem. 2017 Sep;55(9):837-845. doi: 10.1002/mrc.4598. Epub 2017 May 24. PMID: 28422317.
