Isoamyl salicylate | CAS#87-20-7 | fruit aroma

MedKoo Cat#: 591633 | Name: Isoamyl salicylate

Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Isoamyl salicylate is found in alcoholic beverages and is isolated from fruit aromas.

Chemical Structure

Isoamyl salicylate

CAS#87-20-7

Theoretical Analysis

MedKoo Cat#: 591633

Name: Isoamyl salicylate

CAS#: 87-20-7

Chemical Formula: C12H16O3

Exact Mass: 208.1099

Molecular Weight: 208.26

Elemental Analysis: C, 69.21; H, 7.74; O, 23.05

Price and Availability

Size	Price	Availability	Quantity
25mL	USD 350.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

No Data

Synonym

Isoamyl salicylate; NSC 7952; NSC-7952; NSC7952

IUPAC/Chemical Name

Benzoic acid, 2-hydroxy-, 3-methylbutyl ester

InChi Key

PMGCQNGBLMMXEW-UHFFFAOYSA-N

InChi Code

InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3

SMILES Code

O=C(OCCC(C)C)C1=CC=CC=C1O

Appearance

Liquid

Purity

>98% (contains 2-Methylbutyl Salicylate)

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

>2 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

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 208.26 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: Chemsa AE, Zellagui A, Öztürk M, Erol E, Ceylan O, Duru ME, Lahouel M. Chemical composition, antioxidant, anticholinesterase, antimicrobial and antibiofilm activities of essential oil and methanolic extract of Anthemis stiparum subsp. sabulicola (Pomel) Oberpr. Microb Pathog. 2018 Jun;119:233-240. doi: 10.1016/j.micpath.2018.04.033. Epub 2018 Apr 21. PubMed PMID: 29684540. 2: Api AM, Belsito D, Bhatia S, Bruze M, Calow P, Dagli ML, Dekant W, Fryer AD, Kromidas L, La Cava S, Lalko JF, Lapczynski A, Liebler DC, Miyachi Y, Politano VT, Ritacco G, Salvito D, Schultz TW, Shen J, Sipes IG, Wall B, Wilcox DK. RIFM fragrance ingredient safety assessment, isoamyl salicylate, CAS registry number 87-20-7. Food Chem Toxicol. 2015 Oct;84 Suppl:S110-21. doi: 10.1016/j.fct.2015.09.014. Epub 2015 Sep 28. Review. PubMed PMID: 26419451. 3: de Nicolaï P. A smelling trip into the past: the influence of synthetic materials on the history of perfumery. Chem Biodivers. 2008 Jun;5(6):1137-46. doi: 10.1002/cbdv.200890090. PubMed PMID: 18618400. 4: Jiang T, Zhao Q, Li M, Yin H. Preparation of mesoporous titania solid superacid and its catalytic property. J Hazard Mater. 2008 Nov 30;159(2-3):204-9. doi: 10.1016/j.jhazmat.2008.02.008. Epub 2008 Feb 12. PubMed PMID: 18343571. 5: Lapczynski A, Jones L, McGinty D, Bhatia S, Letizia CS, Api AM. Fragrance material review on isoamyl salicylate. Food Chem Toxicol. 2007;45 Suppl 1:S418-23. Epub 2007 Sep 14. Review. PubMed PMID: 18031914. 6: Novikov SM, Melńikova NN, Neriueva VV, Semenovykh LN, Murkova MV. [Hygienic standardization of methyl salicylate and isoamyl salicylate in the atmospheric air of populated areas]. Gig Sanit. 1994 Jan;(1):4-5. Russian. PubMed PMID: 8168708. 7: Novikov SM, Mel'nikova NN, Andrusov VE, Semenovykh LN, Murkova MV. [Study of toxicokinetics and cumulative properties of salicylic acid derivatives]. Gig Sanit. 1992 Jul-Aug;(7-8):65-8. Russian. PubMed PMID: 1468676. 8: Yamada S, Cao J, Sumita O, Kurasawa K, Kurata H, Oh K, Matsuoka H. Automatic antifungal activity analyzing system on the basis of dynamic growth process of a single hypha. Mycopathologia. 1992 May;118(2):65-9. PubMed PMID: 1435944. 9: Matsuoka H, Ii Y, Takekawa Y, Teraoka T. Evaluation of antifungal volatile compounds on the basis of the elongation rate of a single hypha. Appl Environ Microbiol. 1990 Dec;56(12):3779-84. PubMed PMID: 2082824; PubMed Central PMCID: PMC185067. 10: Drake JJ, Guant IF, Butterworth KR, Hoosen J, Hardy J, Gangolli SD. Short-term toxicity of isoamyl salicylate in rats. Food Cosmet Toxicol. 1975 Apr;13(2):185-93. PubMed PMID: 1132848.