Hexyl nicotinate

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

Hodoodo CAT#: H592003

CAS#: 23597-82-2

Description: Hexyl nicotinate is used in reactions of non-immunologic contact urticaria on scalp, face, and back

Chemical Structure

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Hexyl nicotinate
CAS# 23597-82-2
Instruction

Theoretical Analysis

Hodoodo Cat#: H592003
Name: Hexyl nicotinate
CAS#: 23597-82-2
Chemical Formula: C12H17NO2
Exact Mass: 207.13
Molecular Weight: 207.270
Elemental Analysis: C, 69.54; H, 8.27; N, 6.76; O, 15.44

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: Hexyl nicotinate; AI3-15769; AI3 15769; AI315769

IUPAC/Chemical Name: 3-Pyridinecarboxylic acid, hexyl ester

InChi Key: RVYGVBZGSFLJKH-UHFFFAOYSA-N

InChi Code: InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3

SMILES Code: O=C(C1=CC=CN=C1)OCCCCCC

Appearance: Solid powder

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 207.27 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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5: Marrakchi S, Maibach HI. Functional map and age-related differences in the human face: nonimmunologic contact urticaria induced by hexyl nicotinate. Contact Dermatitis. 2006 Jul;55(1):15-9. PubMed PMID: 16842548.

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8: Zhai H, Ebel JP, Chatterjee R, Stone KJ, Gartstein V, Juhlin KD, Pelosi A, Maibach HI. Hydration vs. skin permeability to nicotinates in man. Skin Res Technol. 2002 Feb;8(1):13-8. PubMed PMID: 12005115.

9: Weng Larsen S, Engelbrecht Thomsen AE, Rinvar E, Friis GJ, Larsen C. Effect of drug lipophilicity on in vitro release rate from oil vehicles using nicotinic acid esters as model prodrug derivatives. Int J Pharm. 2001 Mar 23;216(1-2):83-93. PubMed PMID: 11274810.

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12: Tanojo H, Boelsma E, Junginger HE, Ponec M, Boddé HE. In vivo human skin barrier modulation by topical application of fatty acids. Skin Pharmacol Appl Skin Physiol. 1998 Mar-Apr;11(2):87-97. PubMed PMID: 9603659.

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14: Mills CM, Hill SA, Marks R. Transdermal nicotine suppresses cutaneous inflammation. Arch Dermatol. 1997 Jul;133(7):823-5. PubMed PMID: 9236519.

15: Barclay LR, Crowe E, Edwards CD. Photo-initiated peroxidation of lipids in micelles by azaaromatics. Lipids. 1997 Mar;32(3):237-45. PubMed PMID: 9076660.

16: Graves CJ, Edwards C, Marks R. The occlusive effects of protective gloves on the barrier properties of the stratum corneum. Curr Probl Dermatol. 1995;23:87-94. PubMed PMID: 9035931.

17: Gabard B, Treffel P, Charton-Picard F, Eloy R. Irritant reactions on hairless micropig skin: a model for testing barrier creams? Curr Probl Dermatol. 1995;23:275-87. PubMed PMID: 9035922.

18: Reinberg AE, Soudant E, Koulbanis C, Bazin R, Nicolaï A, Mechkouri M, Touitou Y. Circadian dosing time dependency in the forearm skin penetration of methyl and hexyl nicotinate. Life Sci. 1995;57(16):1507-13. PubMed PMID: 7564895.

19: Lavrijsen AP, Oestmann E, Hermans J, Boddé HE, Vermeer BJ, Ponec M. Barrier function parameters in various keratinization disorders: transepidermal water loss and vascular response to hexyl nicotinate. Br J Dermatol. 1993 Nov;129(5):547-53. PubMed PMID: 8251350.

20: Oestmann E, Lavrijsen AP, Hermans J, Ponec M. Skin barrier function in healthy volunteers as assessed by transepidermal water loss and vascular response to hexyl nicotinate: intra- and inter-individual variability. Br J Dermatol. 1993 Feb;128(2):130-6. PubMed PMID: 8457445.