MedKoo Cat#: 592026 | Name: Anisylacetone
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Description:

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

Anisylacetone, also known as 4-methoxyphenyl-2-propanone, is an aromatic ketone compound commonly used as an intermediate in organic synthesis and fragrance chemistry. Structurally, it consists of a methoxy-substituted phenyl ring attached to a propanone (acetone-like) side chain, giving it mild, sweet, vanilla-like odor properties. While not widely studied for biological activity, its chemical features make it useful in the synthesis of more complex molecules, including pharmaceuticals and flavoring agents.

Chemical Structure

Anisylacetone
Anisylacetone
CAS#104-20-1

Theoretical Analysis

MedKoo Cat#: 592026

Name: Anisylacetone

CAS#: 104-20-1

Chemical Formula: C11H14O2

Exact Mass: 178.0994

Molecular Weight: 178.23

Elemental Analysis: C, 74.13; H, 7.92; O, 17.95

Price and Availability

Size Price Availability Quantity
5g USD 350.00 2 Weeks
25g USD 550.00 2 Weeks
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Related CAS #
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Synonym
Anisylacetone; NSC 405366; NSC-405366; NSC405366; 4-Methoxybenzylacetone; p-Methoxybenzylacetone
IUPAC/Chemical Name
2-Butanone, 4-(4-methoxyphenyl)-
InChi Key
PCBSXBYCASFXTM-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
SMILES Code
CC(CCC1=CC=C(OC)C=C1)=O
Appearance
Liquid
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 178.23 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.

Recalculate based on batch purity %
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: Fernández de Simón B, Sanz M, Cadahía E, Esteruelas E, Muñoz AM. Nontargeted GC-MS approach for volatile profile of toasting in cherry, chestnut, false acacia, and ash wood. J Mass Spectrom. 2014 May;49(5):353-70. doi: 10.1002/jms.3347. PubMed PMID: 24809897. 2: Lee JH, Lee DU, Kim YS, Kim HP. 5-Lipoxygenase Inhibition of the Fructus of Foeniculum vulgare and Its Constituents. Biomol Ther (Seoul). 2012 Jan;20(1):113-7. doi: 10.4062/biomolther.2012.20.1.113. PubMed PMID: 24116283; PubMed Central PMCID: PMC3792194. 3: Mei WL, Zeng YB, Liu J, Dai HF. [GC-MS analysis of volatile constituents from five different kinds of Chinese eaglewood]. Zhong Yao Cai. 2007 May;30(5):551-5. Chinese. PubMed PMID: 17727060. 4: Tóth M, Schmera D, Imrei Z. Optimization of a chemical attractant for Epicometis (Tropinota) hirta Poda. Z Naturforsch C. 2004 Mar-Apr;59(3-4):288-92. PubMed PMID: 15241942. 5: Beroza M, Alexander BH, Steiner LF, Mitchell WC, Miyashita DH. New Synthetic Lures for the Male Melon Fly. Science. 1960 Apr 8;131(3406):1044-5. PubMed PMID: 17808098.