Synonym
p-Methylbenzyl acetate; NSC 7001; NSC-7001; NSC7001
IUPAC/Chemical Name
4-Methylbenzyl acetate
InChi Key
WDCUPFMSLUIQBH-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H12O2/c1-8-3-5-10(6-4-8)7-12-9(2)11/h3-6H,7H2,1-2H3
SMILES Code
CC(OCC1=CC=C(C)C=C1)=O
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
Biological target:
p-Methylbenzyl acetate is a biochemical.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
164.20
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 |
Formulation protocol:
TBD
1: Kano K, Kitae T, Shimofuri Y, Tanaka N, Mineta Y. Complexation of polyvalent cyclodextrin ions with oppositely charged guests: entropically favorable complexation due to dehydration. Chemistry. 2000 Aug 4;6(15):2705-13. PubMed PMID: 10985719. 2: Glazier SA, Arnold MA. Selectivity of membrane electrodes based on derivatives of dibenzyltin dichloride. Anal Chem. 1991 Apr 15;63(8):754-9. PubMed PMID: 1877747.
2: Bryant, D. R., McKeon, J. E., & Ream, B. C. (1968). Palladium-catalyzed synthesis of benzyl esters from methyl-benzenes. The Journal of Organic Chemistry, 33(11), 4123-4127.
3: Field, F. H. (1969). Chemical ionization mass spectrometry. X. Temperature studies with substituted benzyl acetates. Journal of the American Chemical Society, 91(23), 6334-6341.
4: Okada, T., & Kamiya, Y. (1981). The liquid-phase oxidation of methylbenzenes by the cobalt-copper-bromide system. Bulletin of the Chemical Society of Japan, 54(9), 2724-2727.
